N1-Pentylethane-1,2-diamine

CAT: 0127-OR1062382-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1062382-01Size:250 mg

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CAS Number

65639-08-9

MDL Number

MFCD11593988

Purity

98%

Smiles

NCCNCCCCC

Chemical Information

N1-pentylethane-1,2-diamine

CAS Number	65639-08-9
PubChem CID	19357501
IUPAC Name	N'-pentylethane-1,2-diamine
Molecular Formula	C7H18N2
Molecular Weight	130.23
XLogP	0.6
Topological Polar Surface Area	38.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	9
Formal Charge	0
Complexity	46

SMILES

CCCCCNCCN

InChI

InChI=1S/C7H18N2/c1-2-3-4-6-9-7-5-8/h9H,2-8H2,1H3

InChIKey

ARAZOETUQJGUOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65639-08-9

CID: 19357501

Formula: C7H18N2

MW: 130.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.23
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	130.146998583
Monoisotopic Mass	130.146998583
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	46.2
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

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