4-클로로-알파-메틸벤질아민

1-(4-Chlorophenyl)ethylamine

HCID 97803CAS 6299-02-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(N)c1ccc(Cl)cc1
InChIKey: PINPOEWMCLFRRB-UHFFFAOYSA-N
분자식: C8H10ClN
평균 분자량: 155.62 g/mol
단동위원소 질량: 155.050177

이름 및 식별자

우선 이름: 1-(4-Chlorophenyl)ethylamine
IUPAC: 1-(4-chlorophenyl)ethanamine
현지명: 4-클로로-알파-메틸벤질아민
영어명: 4-Chloro-alpha-methylbenzylamine
분자식: C8H10ClN
분자량: 155.62

이름 및 동의어

6299-02-11-(4-Chlorophenyl)ethylamineDTXSID101346878RefChem:425341DTXCID308944791-(4-chlorophenyl)ethanamine4-Chloro-alpha-methylbenzylamine1-(4-chlorophenyl)ethan-1-amine4-Chloro-a-methylbenzylamineCHEMBL4214761MFCD00044766Benzenemethanamine, 4-chloro-alpha-methyl-

이름 더 보기

4-클로로-알파-메틸벤질아민(R)-1-(4-CHLOROPHENYL)ETHANAMINESBB004019549142_ALDRICHASISCHEM C56839EINECS 228-576-0TIMTEC-BB SBB004019P-Chloro-Α-PhenylethylamineP-CHLORO-A-METHYLBENZYLAMINE

(R)-4-Chloro-alpha-methylbenzylamineClophar1-(4-chlorophenyl)-1-ethanamineNSC424521-(4-chlSCHEMBL1770571-(4-chlorophenyl)-ethylaminep-chloro-alpha-methylbenzylamine

데이터베이스 식별자

CAS: 6299-02-1
PubChem CID: 97803
DTXSID: DTXSID101346878
ChEMBL: CHEMBL4214761
EC Number: 228-576-0
Nikkaji: J206.868K

물성

구조 계산 물성

XLogP: 1.8
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: 97.4

물리화학적 성질

녹는점: 140 · 140-141 °C
끓는 점: 82.4 °C · 82.4 °C (2.77537 mmHg)
밀도: 1.08 g/mL · 1.080 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.543(lit.)
인화점: 217 °F · 217 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.82 · 8.82±0.10(Predicted)
물리적 상태: 액체
색상: 맑은 노란색
InChI: 1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChIKey: PINPOEWMCLFRRB-UHFFFAOYSA-N
SMILES: CC(N)c1ccc(Cl)cc1

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 3
HS 번호: 29214900
risk_code: 34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
위험 등급: IRRITANT
F 고인화성물질: 10-34
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도1-(4-Chlorophenyl)ethylamine is a chiral amine that may be used in the preparation of N-phenylacetyl-(R)-1-(4-chlorophenyl)ethylamine via enantioselective acylation in aqueous medium and in the presence of penicillin acylase from Alcaligenes faecalis.