N-Benzylglycine Hydrochloride

HCID 2756624

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7689-50-1
표준 SMILES: Cl.O=C(O)CNCc1ccccc1
InChIKey: BUZJPENZWLUHJD-UHFFFAOYSA-N
분자식: C9H12ClNO2
평균 분자량: 201.65 g/mol
단동위원소 질량: 201.0556563

이름 및 식별자

우선 이름: N-Benzylglycine Hydrochloride
IUPAC: 2-(benzylamino)acetic acid;hydrochloride
영어명: Benzylaminoacetic acid hydrochloride
분자식: C9H11NO2.ClH
분자량: 201.65

이름 및 동의어

N-Benzylglycine hydrochlorideDTXSID703734501-Carboxy-3-phenylpropan-2-aminium chlorideRefChem:162960DTXCID70324482629-151-67689-50-1Bzl-Gly-OH.HClBenzylaminoacetic acid hydrochloride2-(benzylamino)acetic Acid HydrochlorideN-benzylglycine HClMFCD00156934

이름 더 보기

BZL-GLY-OHN-BZL-GLY-OHBz-Gly-OH·HClN-ALPHA-BENZYL-GLYCINEBENZYLAMINO-ACETIC ACID(N-BENZYLAMINO)ACETIC ACID1-Benzyl glycine hydrochlorideN-Benzylglycine hydrochloride 98%N-Benzylglycine Hydrochloride >

2-(benzylamino)acetic acid;hydrochlorideBzl-Gly-OH inverted exclamation mark currencyHClbenzylglycine hydrochloriden-benzyl glycine hydrochlorideSCHEMBL1252387AKOS015848422B3075F0001-1969

데이터베이스 식별자

CAS: 7689-50-1
PubChem CID: 2756624
DTXSID: DTXSID70373450
EC Number: 629-151-6

물성

구조 계산 물성

극성 표면적: 49.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 232 °C · 232 °C (dec.)(lit.)
저장 조건: Sealed in dry,Room Temperature
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 3915652 · 3915652
주요 응용: 펩타이드 합성
InChI: InChI=1S/C9H11NO2.ClH/c11-9(12)7-10-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H
InChIKey: BUZJPENZWLUHJD-UHFFFAOYSA-N
SMILES: C(O)(=O)CNCC1=CC=CC=C1.[H]Cl

화학적 성질

Crystalline

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): 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, P305+P354+P338, P317, 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 43 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.