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结构：O=C(N[C@H](CO)CCO)OCc1ccccc1
HCID7022411

(S)-2-Cbz-aminobutane-1,4-diol

benzyl N-[(2S)-1,4-dihydroxybutan-2-yl]carbamate

C12H17NO4239.27 g/molCAS 118219-23-1
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IDENTITY

结构与身份

标准 SMILES
O=C(N[C@H](CO)CCO)OCc1ccccc1
InChIKey
UZEHYMIWBJBOPW-NSHDSACASA-N
分子式
C12H17NO4
平均分子量
239.27 g/mol
单同位素质量
239.11575802

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
78.8 Ų
氢键供体
3
氢键受体
4
可旋转键
7
重原子
17
形式电荷
0
复杂度
217

GHS

GHS 分类

来源：PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 22 条
(S)-2-Cbz-aminobutane-1,4-diol118219-23-1DTXSID70427447RefChem:211052DTXCID50378281(S)-2-Cbz-Amino-butane-1,4-diolbenzyl N-[(2S)-1,4-dihydroxybutan-2-yl]carbamateMFCD03426373Carbamic acid, N-[(1S)-3-hydroxy-1-(hydroxymethyl)propyl]-, phenylmethyl esterBenzyl (S)-(1,4-Dihydroxybutan-2-yl)carbamatebenzyl N-[(1S)-3-hydroxy-1-(hydroxymethyl)propyl]carbamateSCHEMBL1570465UZEHYMIWBJBOPW-NSHDSACASA-NAKOS015911884AC-23788AS-37278SY238524CS-0149658EN300-7420486F861576

REACTIONS

参与反应

2 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂