1-Phenylpropan-1-amine (HCID 18054)

Overview

1-phenylpropan-1-amine is a primary amino compound that is propan-1-amine which carries a phenyl group at position 1. It is a member of benzenes, a primary amino compound and a phenylalkylamine. It is a conjugate base of a 1-phenylpropan-1-aminium.

Names & identifiers

Preferred name: 1-Phenylpropan-1-amine
IUPAC: 1-phenylpropan-1-amine
English name: 1-Phenylpropan-1-amine
Molecular formula: C9H13N
Molecular weight: 135.21

Names & synonyms

1-phenylpropan-1-amine2941-20-01-Phenylpropylamine1-phenyl-1-propanamineCHEBI:153571DTXSID30859841RefChem:435739DTXCID50210379608-356-4alpha-Ethylbenzylamine1-Phenyl-propylaminealpha-Ethylbenzenemethanamine

Show more names

AKOS B0066051-ETHYLBENZYLAMINEα-EthylbenzylamineART-CHEM-BB B006605alpha-ethyl-benzylaminDL-1-PHENYLPROPYLAMINE

alpha-Phenylpropylaminea-ethylbenzylamineMFCD0003816935600-74-9Dapoxetine Impurity 8(S)-alpha-ethylbenzylamineBENZYLAMINE, alpha-ETHYL-(S)-(-)-1-AMINO-1-PHENYLPROPANE

Database identifiers

CAS: 2941-20-0
PubChem CID: 18054
DTXSID: DTXSID30859841
ChEBI: CHEBI:153571
UNII: 72ZR4FQ4JV
EC Number: 608-356-4
Nikkaji: J303.696K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 84.7

Physicochemical properties

Melting point: 116 °C · 116°C (estimate)
Boiling point: 204 °C · 204 °C(lit.)
Density: 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
vapor pressure: 26.5 Pa · 26.5Pa at 20℃
refractive index: 20 · n20/D 1.519(lit.)
Flash point: 170 °F · 170 °F
pka: 9.34 · 9.34±0.10(Predicted)
InChI: 1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3
InChIKey: AQFLVLHRZFLDDV-UHFFFAOYSA-N
SMILES: CCC(N)c1ccccc1
CAS DataBase Reference: 2941 · 2941-20-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 22 · 22-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
RTECS: 4907000 · DP4907000
HazardClass: IRRITANT
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B
Toxicity: 300 mg/kg · guinea pig,LDLo,oral,300mg/kg (300mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: EXCITEMENTBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938.
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (72.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 145 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 27-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12559

Hazard Classes and CategoriesAcute Tox. 3 (72.4%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: DP4907000
ridadr: UN 2735 8/PG 2
Toxicity: guinea pig,LDLo,oral,300mg/kg (300mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: EXCITEMENTBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938.
risk_code: 22-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H302-H314
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Downstream products

1-Phenyl-1-propanol

Suppliers40 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

郑州格镭生物科技有限公司19903857099; 19937938981

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 1-phenylpropan-1-amine is a primary amino compound that is propan-1-amine which carries a phenyl group at position 1. It is a primary amino compound, a member of benzenes and a phenylalkylamine. It is a conjugate base of a 1-phenylpropan-1-aminium.