trans-Cyclohexane-1,4-diamine

CAT: 0572-TRC-C997893-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C997893-100MGSize:100 mg

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CAS Number

2615-25-0

Hazard Statement

Harmful if swallowed; UN number: UN3259; Packing Group: II

Smiles

N[C@@H]1CC[C@@H](N)CC1

Molecular Formula

C6H14N2

Molecular Weight

114.19

Shipping Conditions

Room Temperature

Chemical Information

1,4-Diaminocyclohexane

RN given refers to compound with no isomeric designation

CAS Number	2615-25-0
PubChem CID	18374
IUPAC Name	cyclohexane-1,4-diamine
Molecular Formula	C6H14N2
Molecular Weight	114.19
XLogP	-0.3
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	54

SMILES

C1CC(CCC1N)N

InChI

InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2

InChIKey

VKIRRGRTJUUZHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2615-25-0

CID: 18374

Formula: C6H14N2

MW: 114.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.19
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	114.115698455
Monoisotopic Mass	114.115698455
Topological Polar Surface Area	52 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	54.9
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
C986061	1,4-Cyclohexane-d10-diamine (cis/trans mixture)
D416236	1,2-Cyclohexane-d10-diamine (cis/trans mixture)
TRC-B621255-250MG	trans-1-(Boc-amino)-4-(2-hydroxyethyl)cyclohexane
TRC-B419045-250MG	trans-1,2-Bis(chloromethyl)cyclohexane
TRC-B418325-500MG	(+/-)-trans-1,2-Bis(chloroacetamido)cyclohexane
TRC-B418325-100MG	(+/-)-trans-1,2-Bis(chloroacetamido)cyclohexane
TRC-B418325-250MG	(+/-)-trans-1,2-Bis(chloroacetamido)cyclohexane
TRC-M337800-2.5G	trans-1,2-Dihydroxy-1-methyl-cyclohexane
TRC-B481450-250MG	(+/-)-trans-1,2-Bis(2-mercaptoacetamido)cyclohexane
TRC-B481450-10MG	(+/-)-trans-1,2-Bis(2-mercaptoacetamido)cyclohexane

Catalog	Name
OR5492-01	Trans-Cyclohexane-1,4-diamine
OR7177-01	Trans-Cyclohexane-1,4-diamine, N-BOC protected
GTR19258630-01	Cyclohexane-1,4-diamine
OR306097	Trans-N- (Oxetan-3-yl) cyclohexane-1,4-diamine
OR306411	Trans-1-N- (Quinazolin-4-yl) cyclohexane-1,4-diamine dihydrochloride
OR306410	Trans-1-N- (Pyrimidin-2-yl) cyclohexane-1,4-diamine dihydrochloride
OR306328	Trans-1-N- (Pyrazin-2-yl) cyclohexane-1,4-diamine dihydrochloride
JH754613	TRANS-1,4-CYCLOHEXANE DIISOCYANATE
OR1012693-01	Cis-Cyclohexane-1,4-Diamine Dihydrochloride
OR1012728-01	Cyclohexane-1,3-Diamine