CAS 88061-65-8 Methyl 4-(methylamino)butanoate (HCID 14769104)

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Basic information

CAS: 88061-65-8
Standard SMILES: CNCCCC(=O)OC
InChIKey: NCHRVWIOGHJADK-UHFFFAOYSA-N
Molecular formula: C6H13NO2
Average molar mass: 131.17 g/mol
Monoisotopic mass: 131.09462866

Names & identifiers

Preferred name: Methyl 4-(methylamino)butanoate
IUPAC: methyl 4-(methylamino)butanoate
English name: Methyl 4-(methylamino)butanoate
Molecular formula: C6H13NO2
Molecular weight: 131.17292

Names & synonyms

methyl 4-(methylamino)butanoate88061-65-8DTXSID50563832RefChem:355474DTXCID10514608MFCD11045409SCHEMBL693895methyl4-(methylamino)butanoateSCHEMBL8851093NCHRVWIOGHJADK-UHFFFAOYSA-NAKOS0090797764-Methylamino-butyric acid methyl ester

Show more names

Azelastine impurities1505Butanoic acid, 4-(methylamino)-, methyl ester

BS-130334-(methylamino) butyric acid methyl esterDB-308305EN300-27622AB01000440-01

Database identifiers

CAS: 88061-65-8
PubChem CID: 14769104
DTXSID: DTXSID50563832

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 83.1

Physicochemical properties

InChI: InChI=1S/C6H13NO2/c1-7-5-3-4-6(8)9-2/h7H,3-5H2,1-2H3
InChIKey: NCHRVWIOGHJADK-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCCNC

Chemistry & industry

Suppliers20 total

怀化元研达生物技术有限责任公司18711085600 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

杭州辅润医药科技有限公司15658004993 · [email protected]

怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]

希瓦生物科技（广州）有限公司13268215580 · [email protected]

Related reactions

3 records

New reaction record

HRID 108956As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 160279As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1991590As productuspto-grants-2010_01

Compound notes

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