C-[1-(4-클로로-페닐)-시클로프로필]-메틸아민

[1-(4-Chlorophenyl)cyclopropyl]methanamine

HCID 4120166CAS 69385-29-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC1(c2ccc(Cl)cc2)CC1
InChIKey: VXHKUEKHNVGRTP-UHFFFAOYSA-N
분자식: C10H12ClN
평균 분자량: 181.66 g/mol
단동위원소 질량: 181.0658271

이름 및 식별자

우선 이름: [1-(4-Chlorophenyl)cyclopropyl]methanamine
IUPAC: [1-(4-chlorophenyl)cyclopropyl]methanamine
현지명: C-[1-(4-클로로-페닐)-시클로프로필]-메틸아민
영어명: C-[1-(4-CHLORO-PHENYL)-CYCLOPROPYL]-METHYLAMINE
분자식: C10H12ClN
분자량: 181.66

이름 및 동의어

(1-(4-Chlorophenyl)cyclopropyl)methanamine[1-(4-chlorophenyl)cyclopropyl]methanamineRefChem:391747849-789-069385-29-11-[1-(4-chlorophenyl)cyclopropyl]methanamineMFCD062130951-(4-CHLOROPHENYL)-CYCLOPROPANEMETHANAMINE1-(4-Chlorophenyl)cyclopropane-1-methanamineC-[1-(4-CHLORO-PHENYL)-CYCLOPROPYL]-METHYLAMINESY1042631-[1-(4-chlorophenyl)cyclopropyl]methanamine hydrobromide

이름 더 보기

C-[1-(4-클로로-페닐)-시클로프로필]-메틸아민KML-8OTAVA-BB 7020542747Cyclopropanemethanamine, 1-(4-chlorophenyl)-{[1-(4-chlorophenyl)cyclopropyl]methyl}amine hydrobromide1-[1-(4-chlorophenyl)cyclopropyl]methanamine(SALTDATA: FREE)

[(4-chlorophenyl)cyclopropyl]methylamineSCHEMBL1672926RARECHEM AL BW 1128DTXSID10399538VXHKUEKHNVGRTP-UHFFFAOYSA-NALBB-025329SBB072482STK664130

데이터베이스 식별자

CAS: 69385-29-1
PubChem CID: 4120166
DTXSID: DTXSID10399538
EC Number: 849-789-0

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 157

물리화학적 성질

끓는 점: 266.5 · 266.5±23.0 °C(Predicted)
밀도: 1.19 · 1.190±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: solid
산도 계수 (pKa): 10.36 · 10.36±0.29(Predicted)
InChI: 1S/C10H12ClN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-7,12H2
InChIKey: VXHKUEKHNVGRTP-UHFFFAOYSA-N
SMILES: ClC1=CC=C(C=C1)C2(CN)CC2

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.