N-alpha-Benzyloxycarbonyl-L-lysine

HCID 75172

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Basic information

CAS: 2212-75-1
Standard SMILES: NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: OJTJKAUNOLVMDX-LBPRGKRZSA-N
Molecular formula: C14H20N2O4
Average molar mass: 280.32 g/mol
Monoisotopic mass: 280.14230712

Overview

RN given refers to (L-Lys)-isomer

Names & identifiers

Preferred name: N-alpha-Benzyloxycarbonyl-L-lysine
IUPAC: (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid
English name: N-alpha-Cbz-L-lysine
Molecular formula: C14H20N2O4
Molecular weight: 280.32

Names & synonyms

2212-75-1N-alpha-Benzyloxycarbonyl-L-lysineN(alpha)-BenzyloxycarbonyllysineZ6LTC2CJ3VL-Lysine, N2-[(phenylmethoxy)carbonyl]-N2-[(PHENYLMETHOXY)CARBONYL]-L-LYSINEDTXSID00883810NSC-118518N2-((Phenylmethoxy)carbonyl)-L-lysineL-Lysine, N2-((phenylmethoxy)carbonyl)-Z-N-(2)-lysineRefChem:160821

Show more names

CBZ-L-LYSINEZ-L-LYS-OHCbz-L-LysCBZ-L-Lys-OHNα-Carbobenzoxy-L-lysineZ-LYSINEZ-L-LYSINE

N-(alpha)-benzyloxycarbonyllysineDTXCID501023296218-662-6Z-Lys-OHNalpha-Cbz-L-lysineCbz-Lys-OH(S)-6-Amino-2-(((benzyloxy)carbonyl)amino)hexanoic acidMFCD00038204

Database identifiers

CAS: 2212-75-1
PubChem CID: 75172
DTXSID: DTXSID00883810
UNII: Z6LTC2CJ3V
EC Number: 218-662-6
Nikkaji: J80.427D

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 102 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 20
Formal charge: 0
Complexity: 304

Physicochemical properties

Melting point: 226 · 226-231 °C (dec.)(lit.)
alpha: -13 · -13 º (c=2 in 0.2N HCl)
Boiling point: 497 · 497.0±45.0 °C(Predicted)
Density: 1.206 · 1.206±0.06 g/cm3(Predicted)
refractive index: 1 · 1,512
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Methanol (Slightly), Water (Slightly)
form: Solid
pka: 3.9 · 3.90±0.21(Predicted)
color: White
optical activity: 20 · [α]20/D 13±2°, c = 2 in 0.2 M HCl
BRN: 2153826 · 2153826
Major Application: peptide synthesis
InChI: 1S/C14H20N2O4/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey: OJTJKAUNOLVMDX-LBPRGKRZSA-N
SMILES: NCCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O
CAS DataBase Reference: 2212 · 2212-75-1(CAS DataBase Reference)
EPA Substance Registry System: 2 · L-Lysine, N2-[(phenylmethoxy)carbonyl]- (2212-75-1)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-24/25-36-26
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29242990 · 29242990
Storage Class: 11 · 11 - Combustible Solids