Tetradecyl isocyanate

CAT: 0024-sc-237028Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-237028Size:10 g

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CAS Number

4877-14-9

Chemical Information

Tetradecyl isocyanate

CAS Number	4877-14-9
PubChem CID	3485710
IUPAC Name	1-isocyanatotetradecane
Molecular Formula	C15H29NO
Molecular Weight	239.40
XLogP	7.7
Topological Polar Surface Area	29.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	13
Heavy Atom Count	17
Formal Charge	0
Complexity	185

SMILES

CCCCCCCCCCCCCCN=C=O

InChI

InChI=1S/C15H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17/h2-14H2,1H3

InChIKey

CSMJMAQKBKGDQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4877-14-9

CID: 3485710

Formula: C15H29NO

MW: 239.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.40
XLogP3	7.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	13
Exact Mass	239.224914549
Monoisotopic Mass	239.224914549
Topological Polar Surface Area	29.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	185
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
JH688587	TETRADECYL ISOCYANATE
C3343-1000	Tetradecyl Phosphonate
MBS5785740	Tetradecyl acetate
AR-A05400-01	Tetradecyl Methoxyacetate
467325-01	Tetradecyl-phosphocholine
467323-01	Tetradecyl diphenylphosphate
T84189-01	Tetradecyl Acrylate
112-75-4	Tetradecyl dimethylamine
RM-M121512-01	Tetradecyl maltoside
OR1050608-01	Tetradecyl isobutyrate