1′,2′-Dehydro Meprobamate

CAT: 0024-sc-499653Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-499653Size:25 mg

Selected

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

Quick Request Actions

CAS Number

25462-39-9

Chemical Information

1,3-Propanediol, 2-allyl-2-methyl-, dicarbamate

CAS Number	25462-39-9
PubChem CID	213087
IUPAC Name	[2-(carbamoyloxymethyl)-2-methylpent-4-enyl] carbamate
Molecular Formula	C9H16N2O4
Molecular Weight	216.23
XLogP	0.6
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	15
Formal Charge	0
Complexity	234

SMILES

CC(CC=C)(COC(=O)N)COC(=O)N

InChI

InChI=1S/C9H16N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3H,1,4-6H2,2H3,(H2,10,12)(H2,11,13)

InChIKey

JVAXHLUHJFLHDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25462-39-9

CID: 213087

Formula: C9H16N2O4

MW: 216.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.23
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	216.11100700
Monoisotopic Mass	216.11100700
Topological Polar Surface Area	105 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	234
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