913574-95-5
中文名称
REL-((3R,4S)-3-氟-4-羟基哌啶-1-羧酸苄酯)
英文名称
cis-1-Cbz-3-fluoro-4-hydroxypiperidine
CAS
913574-95-5
分子式
C13H16FNO3
分子量
253.27
MOL 文件
913574-95-5.mol
913574-95-5 结构式
基本信息
中文别名
REL-((3R,4S)-3-氟-4-羟基哌啶-1-羧酸苄酯) 英文别名
cis-1-Cbz-3-fluoro-4-hydroxypiperidinecis-benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
(3R,4S)-rel-Benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
BENZYL Cis-3-FLUORO-4-HYDROXYPIPERIDINE-1-CARBOXYLATE RACEMATE
rel-((3R,4S)-Benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylate)
1-Piperidinecarboxylicacid, 3-fluoro-4-hydroxy-, phenylmethyl ester, (3R,4S)-rel-
物理化学性质
沸点393.4±42.0 °C(Predicted)
密度1.26±0.1 g/cm3(Predicted)
储存条件Store at Room Tem.
酸度系数(pKa)13?+-.0.40(Predicted)
形态solid
InChI1S/C13H16FNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2/t11-,12+/m0/s1
InChIKeyRKRKELORNFODMN-NWDGAFQWSA-N
SMILESO=C(N1CC[C@@H](O)[C@@H](F)C1)OCC2=CC=CC=C2
安全数据
警示词危险
危险性描述H301
危险品运输编号UN 2811 6.1 / PGIII
存储类别6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
toxic compounds or compounds which causing chronic effects
危险性类别Acute Tox. 3 Oral