2-N-부틸아닐린

o-Butyl-aniline

HCID 75909

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2696-85-7
표준 SMILES: CCCCc1ccccc1N
InChIKey: HDVUPIFFKAHPJY-UHFFFAOYSA-N
분자식: C10H15N
평균 분자량: 149.23 g/mol
단동위원소 질량: 149.12044948

이름 및 식별자

우선 이름: o-Butyl-aniline
IUPAC: 2-butylaniline
현지명: 2-N-부틸아닐린
영어명: 2-N-BUTYLANILINE
분자식: C10H15N
분자량: 149.23

이름 및 동의어

2-Butylaniline2696-85-7o-Butyl-anilineDTXSID60181445EINECS 220-272-6RefChem:855213DTXCID70103936220-272-6Benzenamine, 2-butyl-2-N-butylanilineo-aminobutylbenzene2-butyl aniline

이름 더 보기

2-N-부틸아닐린Butylaniline2-Butylaniline>2-butylbenzeneamine(2-butylphenyl)amine2-N-BUTYLANILINE 95+%

Amino-ButylbenzoleMFCD00130033SCHEMBL44325CHEBI:190986AKOS006221873AS-56562CS-03130342-butylbenzenamine

데이터베이스 식별자

CAS: 2696-85-7
PubChem CID: 75909
DTXSID: DTXSID60181445
ChEBI: CHEBI:190986
UNII: 4V8L59L584
EC Number: 220-272-6
Nikkaji: J153.241C

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: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 101

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1390

2076

물리화학적 성질

끓는 점: 126 °C · 126 °C / 15mmHg
밀도: 0 · 0,95 g/cm3
굴절률: 1.536 · 1.5360-1.5390
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 4.27 · 4.27±0.10(Predicted)
색상: Colorless to Red to Green
InChI: 1S/C10H15N/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3
InChIKey: HDVUPIFFKAHPJY-UHFFFAOYSA-N
SMILES: CCCCc1ccccc1N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.