4-SEC-부틸라닐린

Benzenamine, 4-(1-methylpropyl)-

HCID 121771CAS 30273-11-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(C)c1ccc(N)cc1
InChIKey: NVVVQTNTLIAISI-UHFFFAOYSA-N
분자식: C10H15N
평균 분자량: 149.23 g/mol
단동위원소 질량: 149.12044948

이름 및 식별자

우선 이름: Benzenamine, 4-(1-methylpropyl)-
IUPAC: 4-butan-2-ylaniline
현지명: 4-SEC-부틸라닐린
영어명: 4-SEC-BUTYLANILINE
분자식: C10H15N
분자량: 149.23

이름 및 동의어

4-sec-Butylaniline30273-11-1Benzenamine, 4-(1-methylpropyl)-4-Amino-sec-butylbenzeneEINECS 250-108-9DTXSID00865535RefChem:561826DTXCID80813933250-108-94-(sec-butyl)aniline4-butan-2-ylanilinep-sec-Butylaniline

이름 더 보기

4-SEC-부틸라닐린AKOS BBS-000037014-(2-BUTYL)ANILINE4-sec-butylbenzenamine4-sec-Butylaniline >4-SEC-BUTYLANILINE 98%4-(secbutyl)benzeneamine

4-(butan-2-yl)anilineMFCD00010223N-(4-sec-butyl-phenyl)-amine(4-sec-butylphenyl)amine(R)-4-(sec-Butyl)anilineAKOS016039392GS-3260SB47733

데이터베이스 식별자

CAS: 30273-11-1
PubChem CID: 121771
DTXSID: DTXSID00865535
EC Number: 250-108-9
Nikkaji: J208.127J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 103

물리화학적 성질

녹는점: 1.08 °C · 1.08°C (estimate)
끓는 점: 244 · 244-245 °C727 mm Hg(lit.)
밀도: 0.977 g/mL · 0.977 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.537(lit.)
인화점: 226 °F · 226 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 5.02 · 5.02±0.10(Predicted)
색상: 무색~황색
EPA: 4 · Benzenamine, 4-(1-methylpropyl)- (30273-11-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 52 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenamine, 4-(1-methylpropyl)-

Benzenamine, 4-(1-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2810
HS 번호: 2921490090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: IRRITANT

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-(1-methylpropyl)-: ACTIVE

응용 분야

용도4-(1-Methylpropyl)aniline is a useful reagent in the preparation of [dimethyl(dioxo)purinyl]alkanecarboxamides as multifunctional TRPA1 antagonists and PDE4/7 inhibitors for the treatment of pains.