Methylfelbamate

CAT: 0926-XAA13125-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-XAA13125-01Size:1 mg

Selected

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

Quick Request Actions

CAS Number

22131-25-5

Smiles

CC (COC (=O) N) (COC (=O) N) C1=CC=CC=C1

Molecular Formula

C12H16N2O4

Molecular Weight

252.27 g/mol

Controlled

Chemical Information

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

CAS Number	22131-25-5
PubChem CID	89605
IUPAC Name	(3-carbamoyloxy-2-methyl-2-phenylpropyl) carbamate
Molecular Formula	C12H16N2O4
Molecular Weight	252.27
XLogP	1.2
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	18
Formal Charge	0
Complexity	282

SMILES

CC(COC(=O)N)(COC(=O)N)C1=CC=CC=C1

InChI

InChI=1S/C12H16N2O4/c1-12(7-17-10(13)15,8-18-11(14)16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,15)(H2,14,16)

InChIKey

PSVWKKQRXCPWBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22131-25-5

CID: 89605

Formula: C12H16N2O4

MW: 252.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.27
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	252.11100700
Monoisotopic Mass	252.11100700
Topological Polar Surface Area	105 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	282
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
TRC-M305100-1MG	Methylfelbamate
456103-01	Methylfelbamate discontinued
TRC-M305102-25MG	Methylfelbamate-d5