Carbamic acid isopropyl ester

CAT: 0127-OR916469-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR916469-01Size:5 g

Selected

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

Quick Request Actions

CAS Number

1746-77-6

MDL Number

MFCD00025463

Purity

97%

Smiles

CC(C)OC(=O)N

Chemical Information

Isopropyl carbamate

CAS Number	1746-77-6
PubChem CID	15628
IUPAC Name	propan-2-yl carbamate
Molecular Formula	C4H9NO2
Molecular Weight	103.12
XLogP	0.3
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	70

SMILES

CC(C)OC(=O)N

InChI

InChI=1S/C4H9NO2/c1-3(2)7-4(5)6/h3H,1-2H3,(H2,5,6)

InChIKey

OVPLZYJGTGDFNB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1746-77-6

CID: 15628

Formula: C4H9NO2

MW: 103.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	103.12
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	103.063328530
Monoisotopic Mass	103.063328530
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	70.1
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

Catalog	Name
OR922692	Crotonic acid isopropyl ester
OR921446	Cyclohexanecarboxylic acid isopropyl ester
OR1011424-01	4-Aminobenzoic Acid Isopropyl Ester
OR1014311-01	N-Caproic Acid Isopropyl Ester
OR1033707	Carbamic acid, N-cyano-, methyl ester
OR953708-01	2-Thienyl-carbamic acid ethyl ester
OR1043256-01	Carbamic acid, (6-oxohexyl) -, phenylmethyl ester
OR1042631-01	Carbamic acid, (4-bromophenyl) -, phenylmethyl ester
OR7201-01	(Bromomethyl) boronic acid, bis (isopropyl) ester
OR3163	(Phenylethynyl) boronic acid, bis (isopropyl) ester

Catalog	Name
BAA74677	Carbamic acid isopropyl ester
DEC98695-01	Isopropyl-piperidin-4-ylmethyl-carbamic acid tert-butyl ester
005577	Carbamic Acid Propyl Ester
163075	(Chlorosulfonyl) carbamic Acid Benzyl Ester
TRC-C387063-500MG	Carbamic Acid 2-Hydroxypropyl Ester
RG-A261834-01	(Aminocarbonyl) Azanyl Carbamic Acid Ester
TRC-A454360-50MG	(Aminocarbonyl)azanyl Carbamic Acid Ester
TRC-C380175-5G	(Chlorosulfonyl)carbamic Acid Benzyl Ester
AR-D06516-01	Darunavir Carbamic Acid Methyl Ester
AR-M03227-01	Carbamic acid, ethylmethyl-, methyl ester