一键配货
简介
Z-L-histidine hydrazide
基本信息
查看详细信息中文名称
-
英文名称
-
中文别名
-
英文别名
-
CAS号
49706-31-2
分子式
-
分子量
-
更新日期
2026-07-06
技术文档
「暂无技术文档」
相关文章
「暂无相关文章」
Structures
SMILES
C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)NN
2D Structure
https://labdr.oss-cn-shenzhen.aliyuncs.com/casimg/C4/49706-31-2.svg
3D Conformer
https://labdr.oss-cn-shenzhen.aliyuncs.com/mol3/4/49706-31-2.sdf
Related Records
Substances
PubChem Reference Collection SID
518182078
Related Compounds
CAS Candidates.cas_candidates.cas_candidates
49706-31-2
Title and Summary
Molecular Weight
303.32
Standard molecular formula
C14H17N5O3
Names and Identifiers
IUPAC Name
benzyl N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
Other Identifiers
CAS
49706-31-2
UNII
8C5JY263Q7
ChEMBL ID
CHEMBL238258
PubChem CID
73464
Nikkaji Number
J89.534B
DSSTox Substance ID
DTXSID701036285
European Community (EC) Number
256-439-5
Computed Descriptors
Descriptor.InChI
1S/C14H17N5O3/c15-19-13(20)12(6-11-7-16-9-17-11)18-14(21)22-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,15H2,(H,16,17)(H,18,21)(H,19,20)/t12-/m0/s1
Descriptor.InChIKey
BOOAASJRVPZWJW-LBPRGKRZSA-N
Chemical and Physical Properties
Computed Properties
Property Table.XLogP
0.2
Property Table.Complexity
373
Property Table.Exact Mass
303.13313942
Property Table.Formal Charge
0
Property Table.Heavy Atom Count
22
Property Table.Monoisotopic Mass
303.13313942
Property Table.Isotope Atom Count
0
Property Table.Rotatable Bond Count
7
Property Table.Hydrogen Bond Donor Count
4
Property Table.Covalently-Bonded Unit Count
1
Property Table.Hydrogen Bond Acceptor Count
5
Property Table.Topological Polar Surface Area
122
Property Table.Defined Atom Stereocenter Count
1
Property Table.Defined Bond Stereocenter Count
0
Property Table.Undefined Atom Stereocenter Count
0
Property Table.Undefined Bond Stereocenter Count
0
