Basic information
- CAS
761-89-7- Standard SMILES
COC(=O)NC(N)=O- InChIKey
ICYIIEFSHYSYRV-UHFFFAOYSA-N- Molecular formula
- C3H6N2O3
- Average molar mass
- 118.09 g/mol
- Monoisotopic mass
- 118.03784206
Overview
Methylcarbamoylcarbamate is a carbamate ester obatined by the formal condensation of urea-1-carboxylic acid with methanol. It has a role as a metabolite. It is a carbamate ester and a member of ureas. It is functionally related to a urea-1-carboxylic acid.
Names & identifiers
- Preferred name
- methyl N-carbamoylcarbamate
- IUPAC
- methyl N-carbamoylcarbamate
- English name
- Methyl N-carbamoylcarbamate
- Molecular formula
- C3H6N2O3
- Molecular weight
- 118.09
Names & synonyms
methyl N-carbamoylcarbamateMethyl allophanateMethyl N-(aminocarbonyl)carbamate9HK6V636PFNSC-48290CARBAMIC ACID, N-(AMINOCARBONYL)-, METHYL ESTERRefChem:817964684-746-8761-89-7Carbomethoxyureaallophanic acid methyl esterALLOPHANIC ACID, METHYL ESTER
Show more names
methyl(aminocarbonyl)carbamatemethyl N-aminocarbonylcarbamatecarbamoyl-carbamicacimethylesterN-carbamoylcarbamic acid methyl ester
USAF EL-70methylcarbamoylcarbamate1-(Methoxycarbonyl)ureamethyl carbamoylcarbamateCarbamic acid,(aminocarbonyl)-, methyl ester (9CI)Methyl (aminocarbonyl)carbamateNSC 48290BRN 1758683
Database identifiers
- CAS
761-89-7- PubChem CID
- 12976
- DTXSID
DTXSID20226982- ChEBI
CHEBI:2600- UNII
- 9HK6V636PF
- EC Number
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 111
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- FDA UNII
- 9 HK6V636PF · 9HK6V636PF
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Additional notes
DefinitionChEBI: A carbamate ester obatined by the formal condensation of urea-1-carboxylic acid with methanol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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