CAS 19740-72-8 Diisopropyl bicarbamate (HCID 88220)

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Basic information

CAS: 19740-72-8
Standard SMILES: CC(C)OC(=O)NNC(=O)OC(C)C
InChIKey: FBZULTVJWVCJQV-UHFFFAOYSA-N
Molecular formula: C8H16N2O4
Average molar mass: 204.22 g/mol
Monoisotopic mass: 204.11100699

Names & identifiers

Preferred name: Diisopropyl bicarbamate
IUPAC: propan-2-yl N-(propan-2-yloxycarbonylamino)carbamate
English name: diisopropyl bicarbamate
Molecular formula: C8H16N2O4
Molecular weight: 204.22

Names & synonyms

Diisopropyl bicarbamateDiisopropyl Hydrazodicarboxylate1,2-Hydrazinedicarboxylic acid, 1,2-bis(1-methylethyl) esterBicarbamic acid, diisopropyl ester1,2-Hydrazinedicarboxylic acid, bis(1-methylethyl) esterCELOGEN HT-500NSC 29147U7924912PHDTXSID6066523EINECS 243-263-9NSC-29147Bis(1-methylethyl) hydrazine-1,2-dicarboxylate

Show more names

1,2-Hydrazinedicarboxylic acid diisopropyl esterCelogen HT 500Orlistat USP RC BOrlistat Related CoMpound BOrlistat USP Related Compound B

RefChem:587898DTXCID903614919740-72-8diisopropyl hydrazine-1,2-dicarboxylateBicarbamic Acid Diisopropyl Esterpropan-2-yl N-(propan-2-yloxycarbonylamino)carbamateMFCD19443326Diisopropyl 1,2-hydrazinedicarboxylate

Database identifiers

CAS: 19740-72-8
PubChem CID: 88220
DTXSID: DTXSID6066523
UNII: U7924912PH
EC Number: 243-263-9
Nikkaji: J27.090C

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 182

Physicochemical properties

Melting point: 270 ℃ · 270℃
Boiling point: 271.5 · 271.5±9.0 °C(Predicted)
Density: 1.098 · 1.098±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 8.97 · 8.97±0.43(Predicted)
color: White to Off-White
Major Application: pharmaceutical small molecule
InChI: InChI=1S/C8H16N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3,(H,9,11)(H,10,12)
InChIKey: FBZULTVJWVCJQV-UHFFFAOYSA-N
SMILES: N(C(OC(C)C)=O)NC(OC(C)C)=O
FDA UNII: 7924912 PH · U7924912PH
EPA Substance Registry System: 1 · 1,2-Hydrazinedicarboxylic acid, bis(1-methylethyl) ester (19740-72-8)

Safety & regulation

Hazard information

Regulatory Information · 2 items

Chemical: 1,2-Hydrazinedicarboxylic acid, bis(1-methylethyl) ester

Status: Cease Manufacture Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25481

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN2930
hs_code: 2924190002
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_class: 6.1, 4.1
Storage Class: 13 - Non Combustible Solids
Hazard statements: H228.2-H301
Limited Quantities: 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Inactive
Precautionary statements: P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313