2-Hydroxy-4-methylpentanenitrile

CAT: 0127-OR93459Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR93459Size:1 g

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CAS Number

54129-53-2

MDL Number

MFCD12169316

Purity

95%

Smiles

CC(C)CC(C#N)O

Chemical Information

2-Hydroxy-4-methylpentanenitrile

CAS Number	54129-53-2
PubChem CID	12548640
IUPAC Name	2-hydroxy-4-methylpentanenitrile
Molecular Formula	C6H11NO
Molecular Weight	113.16
XLogP	1.1
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	100

SMILES

CC(C)CC(C#N)O

InChI

InChI=1S/C6H11NO/c1-5(2)3-6(8)4-7/h5-6,8H,3H2,1-2H3

InChIKey

HAQDYBJHNGGTLI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54129-53-2

CID: 12548640

Formula: C6H11NO

MW: 113.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	113.16
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	113.084063974
Monoisotopic Mass	113.084063974
Topological Polar Surface Area	44 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1003408-01	4-Methylpentanenitrile
OR470557	2-Amino-4-methylpentanenitrile
OR22165	4-Chloro-4-methylpentanenitrile
OR83208-01	2-Amino-4-methylpentanenitrile hydrochloride
OR1029687-01	2,2'- (Diazene-1,2-Diyl) Bis (5-Hydroxy-2-Methylpentanenitrile)
BUP00372-01	4'-Hydroxy-2,4-dimethoxychalcone
PC107072	2-Hydroxy-4,4,4-trifluorobutyronitrile
OR1050721-01	4-Hydroxy-2-methylbenzamide
OR1099807	2-Hydroxy-4'-chlorobiphenyl
BUP19538	2-Hydroxy-4-methylbenzaldehyde

Catalog	Name
AR-P30701-01	2-Hydroxy-4-methylpentanenitrile
sc-341200A	2-amino-4-methylpentanenitrile
SIC46758-01	4-Bromo-2-methylpentanenitrile
sc-341201A	2-amino-4-methylpentanenitrile hydrochloride
TRC-E891665-50MG	5-(1-Ethoxyethoxy)-3-hydroxy-3-methylpentanenitrile
434241-01	5- (1-Ethoxyethoxy) -3-hydroxy-3-methylpentanenitrile
MBS5761368	2-Hydroxy-5-(2-hydroxy-4-methoxybenzyl)-4-methoxybenzaldehyde
HY-N9012-01	2-Hydroxy-5- (2-hydroxy-4-methoxybenzyl) -4-methoxybenzaldehyde
384952	4-Hydroxy-2-Hexenal (4-Hydroxy-2-Hexenal (4-HHE), 4-Hydroxy-2-Hexenal, 4-HHE, MG, MG-Modified Protein, 4-Hydroxy-2-Hexenal-Modified, 4-Hydroxy-2-Hexenal, 4-Hydroxy Hexenal, HHE, 4-HHE)
ICC02521-01	2-Amino-5- (1,3-benzoxazol-2-ylsulfanyl) -2-methylpentanenitrile