CAS 7689-50-1 N-Benzylglycine Hydrochloride (HCID 2756624)

基本情報

CAS: 7689-50-1
標準SMILES: Cl.O=C(O)CNCc1ccccc1
InChIKey: BUZJPENZWLUHJD-UHFFFAOYSA-N
分子式: C9H12ClNO2
平均分子量: 201.65 g/mol
単同位体質量: 201.0556563

名称と識別子

優先名称: N-Benzylglycine Hydrochloride
IUPAC: 2-(benzylamino)acetic acid;hydrochloride
現地名: N-ベンジルグリシン塩酸塩
英語名: Benzylaminoacetic acid hydrochloride
分子式: C9H11NO2.ClH
分子量: 201.65

名称と別名

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

名称をさらに表示

N-ベンジルグリシン塩酸塩N-ベンジルグリシン・塩酸塩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

データベース識別子

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

物性

構造計算による物性

極性表面積: 49.3 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 141

物理化学的性質

融点: 232 °C · 232 °C (dec.)(lit.)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外見: powder to crystal
色: White to Almost white
BRN: 3915652 · 3915652
主な用途: ペプチド合成
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
CAS データベース: 7689 · 7689-50-1(CAS DataBase Reference)

化学的性質

化学的特性Crystalline

安全と法規制

GHS分類

GHS Classification · 5 件

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.