CAS 5813-64-9 | Neopentylamine | CAS Number 5813-64-9

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5813-64-9 | Neopentylamine

CAS No: 5813-64-9 Catalog No: AG003SYW MDL No:MFCD00008134

Product Description

Catalog Number:

AG003SYW

Chemical Name:

Neopentylamine

CAS Number:

5813-64-9

Molecular Formula:

C5H13N

Molecular Weight:

87.1634

MDL Number:

MFCD00008134

IUPAC Name:

2,2-dimethylpropan-1-amine

InChI:

InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3

InChI Key:

XDIAMRVROCPPBK-UHFFFAOYSA-N

SMILES:

NCC(C)(C)C

EC Number:

227-378-1

UNII:

988C7435J3

NSC Number:

165660

Properties

Complexity:

33.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

87.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

87.166g/mol

Monoisotopic Mass:

87.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Orally active purine-based inhibitors of the heat shock protein 90.	Journal of medicinal chemistry 20060126
Preparation, structure characterization, and oxidation activity of ruthenium complexes with tripodal ligands bearing noncovalent interaction sites.	Inorganic chemistry 20041213
Quantifying the relative contribution of hydrogen bonding and hydrophobic environments, and coordinating groups, in the zinc(II)-water acidity by synthetic modelling chemistry.	Dalton transactions (Cambridge, England : 2003) 20040521
Cross-linking of proteins by 3-(trifluoromethyl)-2,5-hexanedione. Model studies implicate an unexpected amine-dependent defluorinative substitution pathway competing with pyrrole formation.	The Journal of organic chemistry 20020503
Chemistry of stable iminopropadienones, RN=C=C=C=O.	The Journal of organic chemistry 20020419
Malignant fibrous histiocytoma: an institutional review.	Cancer investigation 20010101