N-(Benzyloxycarbonyl)-L-serine

CBZ-SER-OH · Z-SER-OH · Z-Ser · CBZ-L-SER-OH · Cbz-Ser · Z-SERINE · CBZ-L-SER · Z-L-SER-OH

Identifiers & Physical Properties

CAS No.	1145-80-8
Molecular formula	C11H13NO5
Average molar mass	239.22 g/mol
Monoisotopic mass	239.07937252 g/mol
SMILES	O=C(N[C@@H](CO)C(=O)O)OCc1ccccc1
InChIKey	GNIDSOFZAKMQAO-VIFPVBQESA-N
PubChem CID	100310
ChEMBL	CHEMBL1222399
EC No.	214-546-4
DTXSID	DTXSID40150750

XLogP	0.4
Topological polar surface area	95.9
Hydrogen bond donors	3
Hydrogen bond acceptors	5
Rotatable bonds	6
Heavy atoms	17
Formal charge	0
Complexity	263
Melting point	116-119 °C(lit.)
alpha	6 º (c=7, AcOH)
Boiling point	381.88°C (rough estimate)
Density	1.2967 (rough estimate)
Refractive index	6.1 ° (C=6, AcOH)
Storage conditions	Keep in dark place,Sealed in dry,Room Temperature
Solubility	Acetic Acid (Sparingly), DMSO
Physical state	Powder
pKa (acidity coefficient)	3.60±0.10(Predicted)
Color	White to cream
optical activity	[α]20/D +5.8°, c = 2.7 in acetic acid
BRN	2058314
InChI	InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKey	GNIDSOFZAKMQAO-VIFPVBQESA-N
SMILES	C(O)(=O)[C@H](CO)NC(OCC1=CC=CC=C1)=O
CAS DataBase Reference	1145-80-8(CAS DataBase Reference)
FDA UNII	48KP4476DJ
UNSPSC Code	12352209
NACRES	NA.22
GHS pictogram	GHS05,GHS07
Signal word	Danger
GHS hazard statements	H302-H314
GHS precautionary statements	P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
Hazard symbols	Xn
Risk statements (R)	20/21/22-36/37/38
Safety statements (S)	24/25-36-26
Water hazard class (WGK)	3
Customs code	29242990

GHS classification	This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Not Classified
Water hazard class (WGK)	3
Customs code	29242990
Risk statements (R)	20/21/22-36/37/38
Signal word	Danger
GHS pictogram	GHS05,GHS07
Hazard symbols	Xn
Safety statements (S)	24/25-36-26
GHS hazard statements	H302-H314
GHS precautionary statements	P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405

Starting material for the synthesis of various a-amino acids via the b-lactone

Building block in peptide synthesis; Starting material for the synthesis of various α-amino acids via the β-lactone

Building block in peptide synthesis.