1-페닐프로필아민

1-Phenylpropan-1-amine

HCID 18054CAS 2941-20-0

기본 정보

표준 SMILES: CCC(N)c1ccccc1
InChIKey: AQFLVLHRZFLDDV-UHFFFAOYSA-N
분자식: C9H13N
평균 분자량: 135.21 g/mol
단동위원소 질량: 135.10479942

개요

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.

이름 및 식별자

우선 이름: 1-Phenylpropan-1-amine
IUPAC: 1-phenylpropan-1-amine
현지명: 1-페닐프로필아민
영어명: 1-Phenylpropan-1-amine
분자식: C9H13N
분자량: 135.21

이름 및 동의어

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

이름 더 보기

1-페닐프로필아민1-페닐프로판-1-아민AKOS 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 84.7

물리화학적 성질

녹는점: 116 °C · 116°C (estimate)
끓는 점: 204 °C · 204 °C(lit.)
밀도: 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
증기압: 26.5 Pa · 26.5Pa at 20℃
굴절률: 20 · n20/D 1.519(lit.)
인화점: 170 °F · 170 °F
산도 계수 (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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

Hazard Classes and CategoriesAcute Tox. 3 (72.4%)

안전 데이터

wgk: 3
rtecs: DP4907000
ridadr: UN 2735 8/PG 2
독성: 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
hazard_code: C,Xi
safety_code: 26-36/37/39-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials