CAS 35761-26-3 Na-Z-L-2,3-diaminopropionic acid (HCID 369330)

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Basic information

CAS: 35761-26-3
Standard SMILES: NCC(NC(=O)OCc1ccccc1)C(=O)O
InChIKey: FOXRXVSTFGNURG-UHFFFAOYSA-N
Molecular formula: C11H14N2O4
Average molar mass: 238.24 g/mol
Monoisotopic mass: 238.09535693

Names & identifiers

Preferred name: Na-Z-L-2,3-diaminopropionic acid
IUPAC: 3-amino-2-(phenylmethoxycarbonylamino)propanoic acid
English name: Cbz-beta-Amino-L-alanine
Molecular formula: C11H14N2O4
Molecular weight: 238.24

Names & synonyms

Na-Z-L-2,3-diaminopropionic acidRefChem:831670689-800-418635-43-33-Amino-N-Cbz-DL-alanine3-Amino-2-(Cbz-amino)propionic AcidMFCD00043019NSC6410843-amino-2-(benzyloxycarbonylamino)propanoic acidL-ALANINE, 3-AMINO-N-[(PHENYLMETHOXY)CARBONYL]-3-Amino-2-(((benzyloxy)carbonyl)amino)propanoic acid(S)-3-AMINO-2-(BENZYLOXYCARBONYLAMINO)-PROPANOIC ACID

Show more names

Z-DAP-OHCBZ-DAPZ-L-DAP-OHH-DAP(Z)-OH3-Amino-N-Cbz-L-alanineZ-L-DAPZ-DPR-OHZ-Dap-0HCBZ-L-DAP

Cbz-Dap-OHSCHEMBL276664CHEMBL1971522DTXSID70957158FOXRXVSTFGNURG-UHFFFAOYSA-NNa-Z-D-2,3-diaminopropionic acidAC4977AKOS015855212

Database identifiers

CAS: 35761-26-3
PubChem CID: 369330
ChEMBL: CHEMBL1971522

Properties

Computed structural properties

XLogP: -2.2
Topological polar surface area: 102 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 264

Physicochemical properties

Melting point: 240 °C · ~240 °C (dec.)
alpha: -39 · -39 º (1%, 1N HCl)
Boiling point: 463.8 · 463.8±45.0 °C(Predicted)
Density: 1.303 · 1.303±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in dilute acid.
form: Solid
pka: 2.86 · 2.86±0.16(Predicted)
color: White
optical activity: 20 · [α]20/D 39±1°, c = 1% in 1 M HCl
Sensitive: Hygroscopic
BRN: 4486950 · 4486950
Major Application: peptide synthesis
InChI: InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKey: FOXRXVSTFGNURG-VIFPVBQESA-N

Safety & regulation

GHS classification

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

F: 3
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2922.49.3700
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesNalpha-Benzyloxycarbonyl-L-2,3-diaminopropionic acid is a important building block for the synthesis of peptides containing DAP residues, e.g. bleomycins, edeines, tuberactinomycins.