(4-클로로페닐)페닐메틸메틸아민염산염

(4-Chlorophenyl)(phenyl)methanamine

HCID 409810CAS 28022-43-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(c1ccccc1)c1ccc(Cl)cc1
InChIKey: XAFODXGEQUOEKN-UHFFFAOYSA-N
분자식: C13H12ClN
평균 분자량: 217.69 g/mol
단동위원소 질량: 217.06582706

이름 및 식별자

우선 이름: (4-Chlorophenyl)(phenyl)methanamine
IUPAC: (4-chlorophenyl)-phenylmethanamine
현지명: (4-클로로페닐)페닐메틸메틸아민염산염
영어명: (4-Chlorophenyl)phenylmethylamine hydrochloride
분자식: C13H12ClN
분자량: 217.7

이름 및 동의어

28022-43-7(4-Chlorophenyl)(phenyl)methanamine4-CHLOROBENZHYDRYLAMINEP-chlorobenzhydrylamineMFCD000444881-(4-chlorophenyl)-1-phenylmethanamine(4-chlorophenyl)-phenylmethanamine(4-CHLOROPHENYL)PHENYLMETHYLAMINE HYDROCHLORIDE4-Chloro-alpha-phenylbenzenemethanamine(4-chlorophenyl)phenylmethylaminealpha-(4-chlorophenyl)benzylamineSTK496058

이름 더 보기

(4-클로로페닐)페닐메틸메틸아민염산염TIMTEC-BB SBB003126LABOTEST-BB LT00159488Levocetirizine Impurity 144-CHLOROBENZHYDRYLAMINE HCL4-Chloro-α-phenyl-benzenemethanamine4-Chloro-a-phenyl-benzenemethanamine4-CHLOROBENZHYDRYLAMINE HYDROCHLORIDE1-(4-Chlorophenyl)-1-phenylmethylamineBenzenemethanamine, 4-chloro-α-phenyl-

AKOS002679528AKOS016048911SB79348AS-40882C-(4-Chloro-phenyl)-C-phenyl-methylamineBenzenemethanamine, 4-chloro-.alpha.-phenyl-EN300-120171-(4-chlorophenyl)-1-phenylmethanamine hydrochloride

데이터베이스 식별자

CAS: 28022-43-7、5267-39-0
PubChem CID: 409810
DTXSID: DTXSID201370595
ChEMBL: CHEMBL161869
UNII: E6HD3BL36M
EC Number: 837-547-7
Nikkaji: J231.947K

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 181

물리화학적 성질

녹는점: 300 · 300-305 °C (dec.)(lit.)
끓는 점: 161 °C · 161 °C(Press: 0.9 Torr)
밀도: 1.175 · 1.175
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 8.08 · 8.08±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4-Chloro-alpha-phenyl-benzenemethanamine is a component of the antihistamine Cetirizine. As a result, 4-Chloro-alpha-phenyl-benzenemethanamine has been used to study Cetrizine’s absorption, distribution, metabolism and excretion.