Methyl carbazate

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CAS Number

6294-89-9

Synonyms

Methyl hydrazinocarboxylate

MDL Number

MFCD00007594

Purity

=95%

Smiles

COC(=O)NN

Chemical Information

Methyl carbazate

carbadox metabolite

CAS Number	6294-89-9
PubChem CID	80519
IUPAC Name	methyl N-aminocarbamate
Molecular Formula	C2H6N2O2
Molecular Weight	90.08
XLogP	-0.8
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	53

SMILES

COC(=O)NN

InChI

InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)

InChIKey

WFJRIDQGVSJLLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6294-89-9

CID: 80519

Formula: C2H6N2O2

MW: 90.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	90.08
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	90.042927438
Monoisotopic Mass	90.042927438
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	53.5
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
OR1012168-01	9-Fluorenylmethyl Carbazate
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OR72618-01	Ethyl 3- (3,4-Dichlorophenyl) carbazate
OR1055276-01	Methyl methoxy (methyl) carbamate
OR1047988-01	Methyl (chloromethyl) (methyl) carbamate
BUP19029	Methyl carbamate
OR46510-01	Methyl carbamate
OR1081228-01	Methyl 4-bromobenzyl (methyl) carbamate
OR1049144-01	Methyl (chlorosulfonyl) carbamate
OR1022269-01	Methyl propargyl carbonate

Catalog	Name
M14005-01	Methyl carbazate 97%
56653558	Methyl carbazate (Methylhydrazinocarboxylate)
455052-01	Methyl 3- (2-methoxyphenyl) carbazate
TRC-M265965-5G	Methyl 3-(2-methoxyphenyl)carbazate
003462	Benzyl Carbazate
GK4787-25g	Ethyl carbazate
702011	TERT‐BUTYL CARBAZATE‐98% (TERTIARY BUTYL CARBAZATE)
HY-W017873-01	9-Fluorenylmethyl carbazate
261570-01	Tert-Butyl carbazate