4,4-Dimethoxybutan-1-Amine

CAT: 0127-OR1029355-01Size: 1 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1029355-01Size:1 mL

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CAS Number

19060-15-2

Synonyms

4,4-dimethoxybutan-1-amine

Purity

98%

Smiles

COC(CCCN)OC

Chemical Information

1-Butanamine, 4,4-dimethoxy-

See also: Aminobutyraldehyde dimethyl acetal/4- (annotation moved to).

CAS Number	19060-15-2
PubChem CID	5463803
IUPAC Name	4,4-dimethoxybutan-1-amine
Molecular Formula	C6H15NO2
Molecular Weight	133.19
XLogP	-0.1
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	55

SMILES

COC(CCCN)OC

InChI

InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3

InChIKey

TYVAXMOICMBSMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19060-15-2

CID: 5463803

Formula: C6H15NO2

MW: 133.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.19
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	133.110278721
Monoisotopic Mass	133.110278721
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	55
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR924280	4,4-Dimethoxybutan-2-ol
OR59432	4,4-Dimethoxybutan-2-one
PC901499-01	4,4-Difluorocyclohexan-1-amine
OR1072187-01	4,4-Dimethylpentan-1-amine
OR95637-01	[1,1':4',1''-Terphenyl]-4-amine
OR1067763-01	[1,1':4',1'':4'',1'''-Quaterphenyl]-4-amine
OR1043379-01	4-Pentyn-1-amine
OR19578-01	1-Phenylpiperidin-4-amine
OR300056-01	4-Bromoisoquinolin-1-amine
OR3750-01	1-Cyclopropylpiperidin-4-amine

Catalog	Name
XHA80356-01	1,4-Dimethoxybutan-2-amine
FDD55495-01	3,4-Dimethoxybutan-1-amine hydrochloride
YAA06887-01	4,4-Dimethoxybutan-1-ol
18435236	4,4-Dimethoxybutan-2-one
VWC43728-01	1,1-Dimethoxybutan-2-amine hydrochloride
AL BW 1014-01	4,4,4-trifluorobutan-1-amine
IIB45419-01	4,4-Dimethylcycloheptan-1-amine
433511-01	4,4-Dimethylcyclohexan-1-amine
AN KA 1219-01	4,4-dimethylpentan-1-amine
BHB15087-01	1,4,4-Trimethylcyclohexan-1-amine