N-(Benzyloxycarbonyl)-DL-alanine

HCID 95657CAS 1142-20-7

Substructure search Find similar structures

Basic information

Standard SMILES: CC(NC(=O)OCc1ccccc1)C(=O)O
InChIKey: TYRGLVWXHJRKMT-UHFFFAOYSA-N
Molecular formula: C11H13NO4
Average molar mass: 223.22 g/mol
Monoisotopic mass: 223.0844579

Names & identifiers

Preferred name: N-(Benzyloxycarbonyl)-DL-alanine
IUPAC: 2-(phenylmethoxycarbonylamino)propanoic acid
English name: Z-DL-Ala-OH
Molecular formula: C11H13NO4
Molecular weight: 223.23

Names & synonyms

4132-86-9N-Benzyloxycarbonyl-DL-alanineN-(Benzyloxycarbonyl)-DL-alanineDTXSID701302668RefChem:1091402DTXCID60213856223-953-62-(((Benzyloxy)carbonyl)amino)propanoic acidZ-DL-Ala-OHDL-Cbz-alanineN-Carbobenzoxy-DL-alanine2-(phenylmethoxycarbonylamino)propanoic acid

Show more names

N-CBZ-DL-ALANINEZ-DL-ALANSC 27684CBZ-DL-ALAN-Cbz-DL-AlaZ-DL-ALANINECbz-DL-Ala-OH

MFCD000631252-Benzyloxycarbonylamino-propionic acidN-[(Benzyloxy)carbonyl]alaninecarbobenzoxy-dl-alanineDL-Alanine, N-[(phenylmethoxy)carbonyl]-2-{[(benzyloxy)carbonyl]amino}propanoic acidAlanine, N-benzyl ester, L-N(Benzyloxycarbonyl)-DL-alanine

Database identifiers

CAS: 1142-20-7、26607-51-2、4132-86-9、91280-19-2
PubChem CID: 95657
DTXSID: DTXSID701302668
EC Number: 223-953-6
Nikkaji: J154.032G

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 112 · 112-113 °C(lit.)
Boiling point: 364.51 °C · 364.51°C (rough estimate)
Density: 1.2446 · 1.2446 (rough estimate)
refractive index: 1.496 · 1.4960 (estimate)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
solubility: almost transparency in Methanol
form: powder to crystal
pka: 4 · 4.00±0.10(Predicted)
color: White to Almost white
BRN: 6847292 · 6847292
Major Application: peptide synthesis
InChI: 1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)
InChIKey: TYRGLVWXHJRKMT-UHFFFAOYSA-N
SMILES: CC(NC(=O)OCc1ccccc1)C(O)=O
CAS DataBase Reference: 4132 · 4132-86-9(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29242990 · 29242990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29242990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Usespeptide synthesis

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

216 records

New reaction record

HRID 22377As reactantuspto-grants-1995_06

HRID 87800As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 95553As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 114578As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 123906As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 136612As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 144994As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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