Laurocapram

CAT: 0926-FL33342-02Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FL33342-02Size:0.1 Kg

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CAS Number

59227-89-3

Synonyms

1-Dodecylazepan-2-one

MDL Number

MFCD00190580

Smiles

CCCCCCCCCCCCN1CCCCCC1=O

Molecular Formula

C18H35NO

Molecular Weight

281.48 g/mol

Controlled

Chemical Information

Laurocapram

Laurocapram is a member of caprolactams.

CAS Number	59227-89-3
PubChem CID	42981
IUPAC Name	1-dodecylazepan-2-one
Molecular Formula	C18H35NO
Molecular Weight	281.5
XLogP	5.9
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Heavy Atom Count	20
Formal Charge	0
Complexity	240

SMILES

CCCCCCCCCCCCN1CCCCCC1=O

InChI

InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3

InChIKey

AXTGDCSMTYGJND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59227-89-3

CID: 42981

Formula: C18H35NO

MW: 281.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.5
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Exact Mass	281.271864740
Monoisotopic Mass	281.271864740
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	240
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