(r)-1-phenylpropylamine
fo-e1da4bf6dae97cf8
Identity
- Type
- NeutralMolecule
- CAS
- 3082-64-2
- EC
- 608-544-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
20- (+)-((R)-1-Phenylpropyl)amine
- (+)-1-Ethylbenzylamine
- (+)-1-Phenylpropylamine
- (+)-α-Phenylpropylamine
- (1R)-1-Phenylpropan-1-amine
- (1R)-1-Phenylpropylamine
- (R)-(+)-1-Phenyl-1-propylamine
- (R)-(+)-1-Phenylpropylamine
- (R)-(+)-α-Ethylbenzylamine
- (R)-(+)-α-Phenyl-1-propylamine
- (R)-1-Phenyl-1-propanamine
- (R)-1-Phenylpropan-1-amine
- (R)-1-Phenylpropanamine
- (R)-α-Ethylbenzylamine
- (R)-α-Phenylpropylamine
- (αR)-α-Ethylbenzenemethanamine
- Benzenemethanamine, α-ethyl-, (R)-
- Benzenemethanamine, α-ethyl-, (αR)-
- Benzylamine, α-ethyl-, (R)-(+)-
- Benzylamine, α-ethyl-, d-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | AQFLVLHRZFLDDV-SECBINFHSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CC[C@@H](N)c1ccccc1 |
| IUPAC name chemrof:IUPAC_name | (r)-1-phenylpropylamine |
| Molecular formula chemrof:molecular_formula | C9H13N |
| Molecular mass chemrof:molecular_mass | 135.21 |
| Monoisotopic mass chemrof:monoisotopic_mass | 135.104799 |
| SMILES string chemrof:smiles_string | CCC(N)c1ccccc1 |
Known URLs
7Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=3082-64-2 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.112.902 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID00415973 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GX79CZZ2QV | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J57.047H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5324978 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q72498441 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f75fe69b-033a-421b-807e-3a3cebb5fbd2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c71fdc51-b814-40ed-8982-25a1960398aa | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ceaffb95-1acd-44be-80b1-20a322857ffe | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 9ceecc11-d3fa-4e94-a7ee-092caa6ecad6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7b816d9e-6e66-4cf1-b885-ca90c7bfd00a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| a090c8c7-765d-4ae0-9ed6-335b9e31433d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| f6b0204c-6d57-4f81-a040-11cf8d36792c | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a1567163-fa26-403e-977f-933f810543bc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| dd414599-f233-4822-8736-cc9ef5b2b0bd | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| d707e5c1-7791-4b78-bc8c-5da9db004790 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| dca14330-3d7f-4586-80fc-fbaf37375ff4 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 28a4eddb-9df6-4ea3-ada6-740c2386d647 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| cb2b3246-2620-44b9-82f6-740c33d13557 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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