Meprobamate

CAT: 0926-FM25071-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FM25071-01Size:250 mg

Selected

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

Quick Request Actions

CAS Number

57-53-4

Synonyms

2-Methyl-2-propyl-1,3-propanediol dicarbamate; NSC 30418; Pertranquil

MDL Number

MFCD00063428

Smiles

O=C (OCC (C) (COC (=O) N) CCC) N

Molecular Formula

C9H18N2O4

Molecular Weight

218.25 g/mol

Controlled

Yes

Chemical Information

Meprobamate

Meprobamate can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	57-53-4
PubChem CID	4064
IUPAC Name	[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
Molecular Formula	C9H18N2O4
Molecular Weight	218.25
XLogP	0.7
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	212

SMILES

CCCC(C)(COC(=O)N)COC(=O)N

InChI

InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)

InChIKey

NPPQSCRMBWNHMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57-53-4

CID: 4064

Formula: C9H18N2O4

MW: 218.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.25
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	218.12665706
Monoisotopic Mass	218.12665706
Topological Polar Surface Area	105 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	212
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