N-(3-아미노프로필)-N-메틸라니린

N-(3-Aminopropyl)-N-methylaniline

HCID 577774

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53485-07-7
표준 SMILES: CN(CCCN)c1ccccc1
InChIKey: WGHBKYWUOOANEX-UHFFFAOYSA-N
분자식: C10H16N2
평균 분자량: 164.25 g/mol
단동위원소 질량: 164.13134851

이름 및 식별자

우선 이름: N-(3-Aminopropyl)-N-methylaniline
IUPAC: N'-methyl-N'-phenylpropane-1,3-diamine
현지명: N-(3-아미노프로필)-N-메틸라니린
영어명: N-(3-Aminopropyl)-N-methylaniline
분자식: C10H16N2
분자량: 164.25

이름 및 동의어

N-(3-Aminopropyl)-N-methylaniline53485-07-7DTXSID20342015RefChem:826183DTXCID40293095672-758-6N1-methyl-N1-phenylpropane-1,3-diamineN'-methyl-N'-phenylpropane-1,3-diamine1,3-Propanediamine, N-methyl-N-phenyl-MFCD00191602N-methyl-N-phenylpropane-1,3-diamineSCHEMBL544087

이름 더 보기

N-(3-아미노프로필)-N-메틸라니린AKOS BC-2002RARECHEM AL BW 0401Aminopropylmethylaniline3-aminopropyl-ethyl-phenyl-amine3-aminopropyl-methyl-phenyl-aminen-(3-aminopropyl)-n-methylaniline96+%N-(3-Aminopropyl)-N-methylaniline >N1-methyl-N1-phenyl-1,3-Propanediamine

WGHBKYWUOOANEX-UHFFFAOYSA-N-phenyl-N-methyl-1,3-diaminopropaneN-Methyl-N-phenyl-propane-1,3-diamineTS-00123(3-aminopropyl)methylphenylamineN-Methyl-N-phenyltrimethylenediamineN-(3-AMINOPROPYL)-N-METHYL-N-PHENYLAMINEA1ENO

데이터베이스 식별자

CAS: 53485-07-7
PubChem CID: 577774
DTXSID: DTXSID20342015
EC Number: 672-758-6
Nikkaji: J534.001B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 110 · 110-111.5 °C(Solvent: Ligroine; Dichloromethane)
끓는 점: 172 °C · 172 °C / 40mmHg
밀도: 1 g/cm3 · 1 g/cm3
굴절률: 1.564 · 1.5640-1.5660
저장 조건: Refrigerator, Under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 10.193 · 10.193±0.10(predicted)
색상: 연한 노란색에서 진한 노란색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.