N-Acetylvaline

HCID 227752
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Basic information

CAS
17916-88-0
Standard SMILES
CC(=O)NC(C(=O)O)C(C)C
InChIKey
IHYJTAOFMMMOPX-UHFFFAOYSA-N
Molecular formula
C7H13NO3
Average molar mass
159.18 g/mol
Monoisotopic mass
159.08954328

Overview

N-Acetyl-Valine is a N-acyl-amino acid.

Names & identifiers

Preferred name
N-Acetylvaline
IUPAC
2-acetamido-3-methylbutanoic acid
English name
Ac-D-Val-OH
Molecular formula
C7H13NO3
Molecular weight
159.18

Names & synonyms

3067-19-42-acetamido-3-methylbutanoic acidDTXSID001031258acetyl-ValRefChem:828924DTXCID80217750202-537-8221-321-4N-AcetylvalineU83P7H9HV3N-Acetyl-DL-valineAc-DL-Val-OH
Show more names
N-ACETYL-D-VALINEACETYL-D-VALINENsc19758Ac-D-ValAC-D-VALINEAc-D-Val-OHN-ACETYL-D-VALACETYL-D-TYROSINEAcetyl-D-valine99%D-Valine, N-acetyl-
Acetyl-DL-valineMFCD00066065n-acetyl-Valine2-Acetamido-3-Methyl-Butanoic AcidDL-Valine, N-acetyl-(R)-2-acetamido-3-methylbutanoic acidN-Acetyl-D,L-valineSCHEMBL193513

Database identifiers

CAS
17916-88-0、3067-19-4、96-81-1
PubChem CID
227752
DTXSID
DTXSID001031258
ChEBI
CHEBI:169985
EC Number
202-537-8、221-321-4
Nikkaji
J1.113.413K

Properties

Computed structural properties

XLogP
0
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Melting point
167 · 167-169℃
Boiling point
362.2 · 362.2±25.0 °C(Predicted)
Density
1.094 · 1.094±0.06 g/cm3(Predicted)
refractive index
-12 ° · -12 ° (C=1, AcOH)
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C
solubility
almost transparency in Acetic acid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationValine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

wgk
3
hs_code
2924297099
risk_code
36/37/38-43
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

UsesN-Acetyl-D-Valine is a useful intermediate for the microbial production of D-amino acids and derivatives.

Suppliers89 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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