Benzylethanolamine (HCID 4348)

개요

N-Benzylethanolamine is an aromatic amine.

이름 및 식별자

우선 이름: Benzylethanolamine
IUPAC: 2-(benzylamino)ethanol
현지명: 벤질아미노에탄올
영어명: N-Benzylethanolamine
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

N-Benzylethanolamine2-(Benzylamino)ethanol104-63-2BenzylaminoethanolBenzylethanolamineEthanol, 2-[(phenylmethyl)amino]-N-BenzylaminoethanolEthanol, 2-(benzylamino)-Benzyl ethanolamineDTXSID104435648121MS9JMEthanol, 2-((phenylmethyl)amino)-

이름 더 보기

2-벤질아미노에탄올벤질아미노에탄올NBEA2-(Phenylmethyl)amino-ethanolNBZEABCL8BLYST2KIAA1544TIMTEC-BB SBB004062

NSC-60267NSC-11271NSC-177008DTXCID9024356RefChem:829234203-221-22-Benzylaminoethanol2-(Benzylamino)Ethan-1-Ol

데이터베이스 식별자

CAS: 104-63-2
PubChem CID: 4348
DTXSID: DTXSID1044356
ChEMBL: CHEMBL119890
ChEBI: CHEBI:194998
UNII: 48121MS9JM
EC Number: 203-221-2
Nikkaji: J149.805C

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 89.6

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Ethanolamines

Vapor Pressure0.000372 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Collision Cross Section134.9 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1044356]

물리화학적 성질

녹는점: -30 ℃ · -30℃
끓는 점: 153 · 153-156 °C12 mm Hg(lit.)
밀도: 1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.543(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 162 g/l · 162g/l(계산)
물리적 상태: 액체
산도 계수 (pKa): 14.59 · 14.59±0.10(Predicted)
색상: 무색투명~연황색
수용성: 혼용 가능
BRN: 775164 · 775164
InChI: 1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey: XNIOWJUQPMKCIJ-UHFFFAOYSA-N
SMILES: OCCNCc1ccccc1
NIST: 2 · Ethanol, 2-[(phenylmethyl)amino]-(104-63-2)
EPA: 2 · Ethanol, 2-[(phenylmethyl)amino]- (104-63-2)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (42.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 14 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Ethanol, 2-[(phenylmethyl)amino]-

Status: Active Update: 18-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20031

Ethanol, 2-(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Ethanolamine.

Hazard Classes and CategoriesSkin Corr. 1A (42.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29221980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-24/25
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanol, 2-[(phenylmethyl)amino]-: ACTIVE

응용 분야 · 1건

용도Has Pharmaceutical applications. N-Benzylethanolamine is used in the synthesis of imidazoles as potent calcitonin (CGRP) antagonists. Also it aids in the preparation of benzofused hydroxamix acids, as useful fragments for the synthesis of histone deacetylase inhibitors.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京一化生物科技有限公司13429882898; 13429882898

연결된 노트

불러오는 중…

벤질아미노에탄올

기본 정보

개요