Ethyl N-(aminocarbonyl)carbamate

HCID 69380CAS 626-36-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)NC(N)=O
InChIKey
PIHPSKJRLDSJPX-UHFFFAOYSA-N
Molecular formula
C4H8N2O3
Average molar mass
132.12 g/mol
Monoisotopic mass
132.05349212

Names & identifiers

Preferred name
Ethyl N-(aminocarbonyl)carbamate
IUPAC
ethyl N-carbamoylcarbamate
English name
Ethyl allophanate
Molecular formula
C4H8N2O3
Molecular weight
132.12

Names & synonyms

Ethyl allophanate626-36-8Allophanic acid, ethyl ester7B4EN328CCNSC-272RefChem:596311Ethyl N-(aminocarbonyl)carbamate210-945-2ethyl N-carbamoylcarbamateAllophanic acid ethyl esterCarbamic acid, (aminocarbonyl)-, ethyl esterMFCD00047870
Show more names
EthoxycarbonylureaEthyl allophanate, CEthyl allophanate,98%Ethyl Allophanate >ALLOPHANIC ACID ETHYL ESTEREthyl aminocarbonylcarbamateCarbamoylcarbamic acid ethyl ester
ethyl carbamoylcarbamateCarbamic acid, N-(aminocarbonyl)-, ethyl esterethylallophanateEthyl (aminocarbonyl)carbamateNSC 2723-carbethoxy-ureaEINECS 210-945-2NSC 119864

Database identifiers

CAS
626-36-8
PubChem CID
69380
DTXSID
DTXSID4060818
UNII
7B4EN328CC
EC Number
210-945-2
Nikkaji
J27.048B

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
81.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
9

Physicochemical properties

Melting point
184 · 184-189 °C
Boiling point
190 · 190-191℃
Density
1.4207 · 1.4207 (rough estimate)
refractive index
1.488 · 1.4880 (estimate)
pka
9.89 · 9.89±0.46(Predicted)
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

tsca
TSCA listed
hs_code
2922.39.5000
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCarbamic acid, N-(aminocarbonyl)-, ethyl ester: INACTIVE

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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