2-(4-Aminophenyl)ethylamine (HCID 72895)

개요

used to prepare derivatives of reducing oligosaccharides; structure given in first source

이름 및 식별자

우선 이름: 2-(4-Aminophenyl)ethylamine
IUPAC: 4-(2-aminoethyl)aniline
영어명: 2-(4-Aminophenyl)ethylamine
분자식: C8H12N2
분자량: 136.19

이름 및 동의어

13472-00-92-(4-Aminophenyl)ethylamine4-AminophenethylamineNSC-299558DTXSID30158902X34DV3E856RefChem:456712DTXCID0081393236-739-24-(2-Aminoethyl)aniline4-(2-Amino-ethyl)-phenylaminep-Aminophenethylamine

이름 더 보기

2-(4-Aminopheneyl)EthylamineRARECHEM AL BW 02614-(2-Aminoethyl)anil4-(ETHYLAMINO)ANILINEAminophenylethylaminep-(2-Aminoethyl)anilineP-AMINOPHENYLETHYLAMINE

Benzeneethanamine, 4-amino-MFCD00008194aminophenethylamine4-(2-Amino-ethyl)-aniline4-(2-aminoethyl)benzenamine4-(2-aminoethyl)phenylamine4-Amino-.beta.-phenylethylamine4-aminophenylethylamine

데이터베이스 식별자

CAS: 13472-00-9
PubChem CID: 72895
DTXSID: DTXSID30158902
ChEMBL: CHEMBL1650241
UNII: X34DV3E856
EC Number: 236-739-2
Nikkaji: J264J

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 85.3

물리화학적 성질

녹는점: 28 · 28-31 °C(lit.)
끓는 점: 103 °C0.3 · 103 °C0.3 mm Hg(lit.)
밀도: 1.034 g/mL · 1.034 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.591(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 점성 액체
산도 계수 (pKa): 10.32 · 10.32±0.10(Predicted)
색상: 투명하고 연한 노란색에서 갈색-노란색까지
수용성: 물에 불용성.
BRN: 1099913 · 1099913
안정성: 공기에 민감한
InChI: 1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2
InChIKey: LNPMZQXEPNWCMG-UHFFFAOYSA-N
SMILES: NCCc1ccc(N)cc1
NIST: 2 · 2-(4-Aminophenyl)ethylamine(13472-00-9)

화학적 성질

clear light yellow to brown-yellow viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

안전 데이터

wgk: 3
ridadr: UN 3259 8/PG 2
HS 번호: 29215900
risk_code: 34-20/21/22
hazard_code: C,Xi
safety_code: 26-36/37/39-45-27
포장분류: III
위험 등급: 8
F 고인화성물질: 2-10
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-(2-Aminoethyl)aniline has been used in chemical modification of silk fibroin to tailor the overall hydrophilicity and structure of silk. It has been used as reagent in polycondensation reactions.

일반 설명4-(2-Aminoethyl)aniline undergoes coupling with carbohydrates by reductive amination to yield modified carbohydrates.