CAS 27298-98-2 (S)-1-(p-tolyl)ethanamine (HCID 7015759)

기본 정보

CAS: 27298-98-2
표준 SMILES: Cc1ccc([C@H](C)N)cc1
InChIKey: UZDDXUMOXKDXNE-QMMMGPOBSA-N
분자식: C9H13N
평균 분자량: 135.21 g/mol
단동위원소 질량: 135.10479942

이름 및 식별자

우선 이름: (S)-1-(p-tolyl)ethanamine
IUPAC: (1S)-1-(4-methylphenyl)ethanamine
현지명: (S)-(-)-1-(P-톨릴)에틸라민
영어명: (S)-(-)-1-(p-Tolyl)ethylamine
분자식: C9H13N
분자량: 135.21

이름 및 동의어

(S)-1-(p-Tolyl)ethanamineRefChem:407784(-)-1-(4-methylphenyl)ethylamine623-635-027298-98-2(S)-(-)-1-(p-Tolyl)ethylamine(1S)-1-(4-methylphenyl)ethanamine(1S)-1-(4-Methylphenyl)Ethan-1-AmineMFCD00145246(1S)-1-(p-Tolyl)ethanamine(S)-1-(p-tolyl)ethylamine(S)-1-p-tolylethanamine

이름 더 보기

(S)-(-)-1-(P-톨릴)에틸라민(S)-1-(4-METHYLPHENYL)ETHYLAMINE(S)-(-)-A-(P-TOLYL)ETHYLAMINE(S)-alpha,p-Dimethylbenzylamine(S)-(-)-4-(1-AMINOETHYL)TOLUENE(s)-(-)-α,4-dimethylbenzylamine[S,(-)]-p,α-Dimethylbenzylamine

(S)-(-)-1-(4-Methylphenyl)ethylamine(S)-(?)-a,4-Dimethylbenzylamine1-(4-Methylphenyl)ethanamine #(R)-(+)-1-(p-Tolyl)ethylamine(1S)-1-(4-methylphenyl)ethylamine(R)-(+)-4-(1-Aminoethyl)toluene(S)-1-(p-tolyl)ethan-1-amineEC 623-635-0

데이터베이스 식별자

CAS: 27298-98-2
PubChem CID: 7015759
DTXSID: DTXSID30426759
EC Number: 623-635-0
Nikkaji: J57.034F

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 92.9

물리화학적 성질

녹는점: -20 °C · <-20°C
끓는 점: 205 °C · 205 °C(lit.)
밀도: 0.919 g/mL · 0.919 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.521(lit.)
인화점: 180 °F · 180 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: Chloroform (Slightly), Methanol (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly)
산도 계수 (pKa): 9.2 · 9.20±0.10(Predicted)
물리적 상태: 액체
색상: Clear, colourless
Specific Gravity: 0.919 · 0.919
BRN: 2422644 · 2422644
InChI: 1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m0/s1
InChIKey: UZDDXUMOXKDXNE-QMMMGPOBSA-N
SMILES: C[C@H](N)c1ccc(C)cc1

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (98.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 151 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.