(2,3-Dimethylcyclohexyl) methanamine

CAT: 0926-PDC91430-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-PDC91430-01Size:50 mg

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CAS Number

1339914-30-5

MDL Number

MFCD20408860

Smiles

CC1CCCC (C1C) CN

Molecular Formula

C9H19N

Molecular Weight

141.25 g/mol

Controlled

Chemical Information

(2,3-Dimethylcyclohexyl)methanamine

CAS Number	1339914-30-5
PubChem CID	53433456
IUPAC Name	(2,3-dimethylcyclohexyl)methanamine
Molecular Formula	C9H19N
Molecular Weight	141.25
XLogP	2.3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	101

SMILES

CC1CCCC(C1C)CN

InChI

InChI=1S/C9H19N/c1-7-4-3-5-9(6-10)8(7)2/h7-9H,3-6,10H2,1-2H3

InChIKey

JYOFDIXJDYSDII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1339914-30-5

CID: 53433456

Formula: C9H19N

MW: 141.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.25
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	141.151749610
Monoisotopic Mass	141.151749610
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GQA66567-01	(2,2-Dimethylcyclohexyl) methanamine
JJB94683-01	(3,5-Dimethylcyclohexyl) methanamine
HQB63151-01	(4,4-Dimethylcyclohexyl) methanamine
LKC90085-01	(1,4-Dimethylcyclohexyl) methanamine, iastereomers
DNB80702-01	(2,3-Dimethylcyclohexyl) urea
KJC93431-01	1- (1-Methoxy-4,4-dimethylcyclohexyl) methanamine
RLA28276-01	2- (3,3-Dimethylcyclohexyl) acetic acid
CEA36967-01	(3,3-Dimethylcyclohexyl) methanol
KDA12034-01	2- (3,4-Dimethylcyclohexyl) acetic acid
GDA98007-01	(2,2-Dimethylcyclohexyl) methanol

Catalog	Name
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OR86917-01	(3-Bromothiophen-2-yl) methanamine
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