N-[(1,1-Dimethylethoxy)carbonyl]-N-(1-methylethyl)-β-alanine

HCID 15408230CAS 917202-02-9

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Basic information

Standard SMILES
CC(C)N(CCC(=O)O)C(=O)OC(C)(C)C
InChIKey
KKIAMBQPKZBCIZ-UHFFFAOYSA-N
Molecular formula
C11H21NO4
Average molar mass
231.292 g/mol
Monoisotopic mass
231.14705815

Names & identifiers

Preferred name
N-[(1,1-Dimethylethoxy)carbonyl]-N-(1-methylethyl)-β-alanine
IUPAC
N-(tert-Butoxycarbonyl)-N-propan-2-yl-beta-alanine
English name
3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}propanoic acid
Molecular formula
C11H21NO4
Molecular weight
231.29

Names & synonyms

N-Boc-3-isopropylamino-propionic3-[Boc-(isopropyl)amino]propanoic Acid3-((tert-Butoxycarbonyl)(isopropyl)amino)propanoic acid3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}propanoic acidβ-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-(1-methylethyl)-

Database identifiers

CAS
917202-02-9
PubChem CID
15408230
DTXSID
DTXSID201183697
EC Number
825-738-8

Properties

Physicochemical properties

Boiling point
332.2 · 332.2±21.0 °C(Predicted)
Density
1.071 · 1.071±0.06 g/cm3(Predicted)
pka
4.46 · 4.46±0.10(Predicted)
Symbol(GHS)
8 · GHS08
Signal word
Danger
Hazard statements
360 · H360

Safety & regulation

Safety data

Signal word
Danger
Symbol(GHS)
GHS08
Hazard statements
H360
Precautionary statements
P501-P202-P201-P280-P308+P313-P405

Chemistry & industry

Applications

Uses3-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}propanoic Acid can be used to modulate Mdc activity which can be used to treat or prevent proliferative diseases, autoinflammatory diseases, and autoimmune diseases in a subject.

Suppliers8 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]

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