N-(3-클로로프로필)디부틸아민

N-(3-Chloropropyl)dibutylamine

HCID 96084CAS 36421-15-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCN(CCCC)CCCCl
InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N
분자식: C11H24ClN
평균 분자량: 205.77 g/mol
단동위원소 질량: 205.1597275

이름 및 식별자

우선 이름: N-(3-Chloropropyl)dibutylamine
IUPAC: N-butyl-N-(3-chloropropyl)butan-1-amine
현지명: N-(3-클로로프로필)디부틸아민
영어명: N-(3-chloropropyl)dibutylamine
분자식: C11H24ClN
분자량: 205.77

이름 및 동의어

N-(3-Chloropropyl)dibutylamineEINECS 253-027-7DTXSID40189949NSC 511332-(n-butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuranRefChem:826496DTXCID50112440253-027-736421-15-5n-butyl-n-(3-chloropropyl)butan-1-amineMFCD131859661-Dibutylamino-3-chloropropane

이름 더 보기

N-(3-클로로프로필)디부틸아민N-(3-ChLDronedarone Intermediate 2Dronedarone Intermediate 4Dronedarone hydrochloride SM2

(3-Chloropropyl)dibutylamine5ZLC4BY7K51-chloro-3-dibutylaminopropaneNSC-51133dibutyl(3-chloropropyl)amine1-Butanamine, N-butyl-N-(3-chloropropyl)-N-Butyl-N-(3-chloropropyl)-1-butanamineNSC51133

데이터베이스 식별자

CAS: 36421-15-5
PubChem CID: 96084
DTXSID: DTXSID40189949
UNII: 5ZLC4BY7K5
EC Number: 253-027-7
Nikkaji: J332.289K

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 9
무거운 원자 수: 13
형식 전하: 0
복잡도: 88

물리화학적 성질

끓는 점: 118 · 118-130 °C(Press: 25 Torr)
밀도: 0.899 · 0.899±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.39 · 9.39±0.50(Predicted)
물리적 상태: 액체
색상: 옅은 노랑
InChI: InChI=1S/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N
SMILES: C(N(CCCC)CCCCl)CCC

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H371 (20%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]

P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 3 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.