CAS 106719-44-2 Boc-D-Lys-OH (HCID 7018770)

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Basic information

CAS: 106719-44-2
Standard SMILES: CC(C)(C)OC(=O)N[C@H](CCCCN)C(=O)O
InChIKey: DQUHYEDEGRNAFO-MRVPVSSYSA-N
Molecular formula: C11H22N2O4
Average molar mass: 246.3 g/mol
Monoisotopic mass: 246.15795718

Names & identifiers

Preferred name: Boc-D-Lys-OH
IUPAC: (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
English name: Boc-D-Lys-OH
Molecular formula: C11H22N2O4
Molecular weight: 246.3

Names & synonyms

Boc-D-Lys-OH106719-44-2N2-Boc-D-lysineMFCD00076956N2-[(1,1-DIMETHYLETHOXY)CARBONYL]-D-LYSINE(tert-Butoxycarbonyl)-D-lysineNalpha-Boc-D-lysineNalpha-(tert-Butoxycarbonyl)-D-lysinen-alpha-boc-d-lysineN-|A-Boc-D-lysineBOC-D-LYSINED-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-

Show more names

Nα-(tert-Butoxycarbonyl)-D-lysineNα-Boc-D-lysineCAS:106719-44-2N-α-Boc-D-lysineBOC-D-LYS-OH 98%N^a-Boc-D-lysine, 98%

(R)-6-amino-2-((tert-butoxycarbonyl)amino)hexanoic acid(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acidN~2~-(Tert-Butoxycarbonyl)-D-Lysine(2R)-6-azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoateBoc-D-Lys-OH, 98%SCHEMBL918952DTXSID10910101(2R)-6-amino-2-{[(tert-butoxy)carbonyl]amino}hexanoic acid

Database identifiers

CAS: 106719-44-2
PubChem CID: 7018770
DTXSID: DTXSID10910101
EC Number: 155-230-5
Nikkaji: J2.651.187I

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 102 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 261

Physicochemical properties

Melting point: 198 °C · 198 °C
Boiling point: 410.5 · 410.5±40.0 °C(Predicted)
Density: 1.113 · 1.113±0.06 g/cm3(Predicted)
refractive index: -22 ° · -22 ° (C=2, MeOH)
storage temp.: 2 · 2-8°C
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka: 3.92 · 3.92±0.21(Predicted)
form: powder to crystal
color: White to Almost white
optical activity: 22 · [α]22/D -24°, c = 0.5% in methanol
Major Application: peptide synthesis
InChI: 1S/C11H22N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1
InChIKey: DQUHYEDEGRNAFO-MRVPVSSYSA-N
SMILES: OC([C@H](NC(OC(C)(C)C)=O)CCCCN)=O
UNSPSC Code: 12352209 · 12352209

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29241990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 4-7-28-35-44
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesNα-Boc-D-lysine is an N-Boc-protected form of D-Lysine (L468930). D-Lysine is the unnatural isomer of L-Lysine (L468895) that has the ability to reduce non-enzymatic glycation in vitro. D-Lysine also exists as polypeptide chains of poly-D-lysine, a nonspecific adhesion-promoting molecule that has the potential to be a polymeric drug carrier.