3,5-Di-tert-butylaniline

HCID 75419CAS 2380-36-1

기본 정보

표준 SMILES: CC(C)(C)c1cc(N)cc(C(C)(C)C)c1
InChIKey: MJKNHXCPGXUEDO-UHFFFAOYSA-N
분자식: C14H23N
평균 분자량: 205.34 g/mol
단동위원소 질량: 205.18304974

이름 및 식별자

우선 이름: 3,5-Di-tert-butylaniline
IUPAC: 3,5-ditert-butylaniline
영어명: 3,5-Di-tert-butylaniline
분자식: C14H23N
분자량: 205.34

이름 및 동의어

3,5-Di-tert-butylaniline2380-36-1EINECS 219-173-0DTXSID80178493RefChem:486586DTXCID10100984219-173-03,5-ditert-butylanilineMFCD001340963,5-di-t-butylanilineBenzenamine, 3,5-bis(1,1-dimethylethyl)-SCHEMBL112570

이름 더 보기

AKOS BC-07002,3-detert-butylaniline3,5-Bis(tert-butyl)aniline3,5-Di-tert-butylaniline>3,5-Di-tert-butylaniline 98%(3,5-ditert-butylphenyl)amine3,5-di-tert-butylaniline - [AC78205]

(3,5-ditert-butyl-phenyl)-amineF9995-0349SB77949SY009402EN300-226475AG-672/250025993,5-ditert-butylphenylamineaniline, 3,5-di-t-butyl-

데이터베이스 식별자

CAS: 2380-36-1
PubChem CID: 75419
DTXSID: DTXSID80178493
EC Number: 219-173-0
Nikkaji: J213.242G

물성

구조 계산 물성

XLogP: 4.6
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: 184

물리화학적 성질

녹는점: 54 · 54-57 °C (lit.)
끓는 점: 276.6 · 276.6±29.0 °C(Predicted)
밀도: 0.912 · 0.912±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: soluble in Benzene,Alcohol
물리적 상태: powder to crystal
산도 계수 (pKa): 4.79 · 4.79±0.10(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C14H23N/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,15H2,1-6H3
InChIKey: MJKNHXCPGXUEDO-UHFFFAOYSA-N
SMILES: C1(N)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.