Hexyl isocyanate

CAT: 0024-sc-235312Size: 5 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-235312Size:5 mL

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2525-62-4

Chemical Information

Hexyl isocyanate

Hexyl isocyanate is an isocyanate in which a single isocyanato substituent is located at C-1 of a hexane molecule; found to be immunogenic in guinea pigs. It has a role as an immunomodulator and an allergen.

CAS Number	2525-62-4
PubChem CID	75659
IUPAC Name	1-isocyanatohexane
Molecular Formula	C7H13NO
Molecular Weight	127.18
XLogP	3.3
Topological Polar Surface Area	29.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	95

SMILES

CCCCCCN=C=O

InChI

InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

InChIKey

ANJPRQPHZGHVQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2525-62-4

CID: 75659

Formula: C7H13NO

MW: 127.18

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	127.18
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	127.099714038
Monoisotopic Mass	127.099714038
Topological Polar Surface Area	29.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	95.1
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

Related Products

Catalog	Name
sc-234788	Diphenylmethyl isocyanate
sc-227702	Cyclohexanemethyl isocyanate
sc-255690	Trichloroacetyl isocyanate
sc-227745	Decyl isocyanate
sc-257942B	Octadecyl isocyanate
sc-233973	Benzoyl isocyanate
sc-236327	Pentyl isocyanate
sc-234467	Cyclooctyl isocyanate
sc-224340	Undecyl isocyanate
sc-234324	Chloroacetyl isocyanate

Alternative Products

Catalog	Name
278643-01	Hexyl isocyanate
H06370-01	N-Hexyl isocyanate
FC166324-01	Cyclopropyl isocyanate
FB09450-01	Benzoyl isocyanate
558097	Phenyl isocyanate
468233-01	Trimethylsilyl isocyanate
468058-01	Trichloroacetyl Isocyanate
452527-01	Isobutyl Isocyanate
448558-01	Ethoxycarbonyl Isocyanate
JH688587	TETRADECYL ISOCYANATE

Hexyl isocyanate

Chemical Information

Related Products

Alternative Products

Popular Products