Dimethallylamine

CAT: 0926-KBA00015-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-KBA00015-01Size:5 g

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CAS Number

35000-15-8

MDL Number

MFCD00026058

Smiles

CC (=C) CNCC (=C) C

Molecular Formula

C8H15N

Molecular Weight

125.21 g/mol

Controlled

Chemical Information

Bis(2-methylprop-2-en-1-yl)amine

CAS Number	35000-15-8
PubChem CID	233709
IUPAC Name	2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine
Molecular Formula	C8H15N
Molecular Weight	125.21
XLogP	2.3
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

CC(=C)CNCC(=C)C

InChI

InChI=1S/C8H15N/c1-7(2)5-9-6-8(3)4/h9H,1,3,5-6H2,2,4H3

InChIKey

LDCWGVLBCJEQMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35000-15-8

CID: 233709

Formula: C8H15N

MW: 125.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.21
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	125.120449483
Monoisotopic Mass	125.120449483
Topological Polar Surface Area	12 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.7
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
OR943096-01	Dimethallylamine