(2-Aminoethyl)carbamic acid
Basic information
- CAS
109-58-0- Standard SMILES
NCCNC(=O)O- InChIKey
RLRHPCKWSXWKBG-UHFFFAOYSA-N- Molecular formula
- C3H8N2O2
- Average molar mass
- 104.11 g/mol
- Monoisotopic mass
- 104.0585775
Names & identifiers
- Preferred name
- (2-Aminoethyl)carbamic acid
- IUPAC
- 2-aminoethylcarbamic acid
- English name
- (2-aminoethyl)carbamic acid
- Molecular formula
- C3H8N2O2
- Molecular weight
- 104.11
Names & synonyms
(2-AMINOETHYL)CARBAMIC ACID109-58-0Ethylenediamine carbamateCarbamic acid, (2-aminoethyl)-Carbamic acid, N-(2-aminoethyl)-Carbamic acid, compd with ethylenediamineCarbamic acid, compd with 1,2-ethanediamineHSDB 2573N-(CARBOXY)ETHYLENEDIAMINEEINECS 203-684-0DTXSID0059374(2-AMINOETHYL)CARBAMIC ACID [HSDB]
Show more names
Azacitidine Impurity 41
RefChem:395369Carbamic acid, (2aminoethyl)DTXCID5033127Carbamic acid, compd with 1,2ethanediamine2-aminoethylcarbamic acidN-(2-Aminoethyl)carbamic acidcarboxyethylenediamine5823XF90GJ
Database identifiers
- CAS
109-58-0- PubChem CID
- 32412
- DTXSID
DTXSID0059374- UNII
- 5823XF90GJ
- EC Number
- 203-684-0
- Nikkaji
- J43.030G
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Carbamic Acid Esters
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLight yellow solid; [MSDSonline]
Physicochemical properties
- Melting point
- 153 · 153-155 °C
- Density
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- pka
- 4.67 · 4.67±0.41(Predicted)
- Indirect Additives used in Food Contact Substances
- ETHYLENEDIAMINE CARBAMATE
- FDA 21 CFR
- 177.26 · 177.2600
- FDA UNII
- 5823 XF90GJ · 5823XF90GJ
- EPA Substance Registry System
- (2-Aminoethyl)carbamic acid (109-58-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; May cause skin and respiratory sensitization after prolonged contact; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Non-Human Toxicity Excerpts
N,N'-ALKYL SUBSTITUTED ETHYLENEDIAMINES HAVE BEEN EXAM FOR OCULAR TOXICITY IN BEAGLE DOG...A SERIES OF COMPD WITH ALKYL CHAINS RANGING FROM C1 TO C4... CAUSED DEPIGMENTATION OF TAPETUM LUCIDUM...AFTER SINGLE ORAL DOSE OF 400 MG/KG. THIS WAS PRESUMABLY DUE TO REMOVAL OF ZINC... /ETHYLENEDIAMINE DERIVATIVES/
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H317
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Uses
Used as cross-linking agent in rubber processing; [HSDB]
CROSS-LINKING AGENT IN RUBBER PROCESSING
Consumption PatternsPROBABLY 100% AS A CROSS-LINKING AGENT IN RUBBER PROCESSING (1976)
Methods of ManufacturingREACTION OF ETHYLENEDIAMINE & CARBON DIOXIDE
Formulations/PreparationsSEE DIAK. "DIAK." TRADEMARK FOR A SERIES OF RUBBER ACCELERATORS USED TO VULCANIZE "VITON" FLUOROELASTOMER & POLYACRYLATE ELASTOMERS. /DIAK/
General Manufacturing InformationCarbamic acid, N-(2-aminoethyl)-: ACTIVE
Applications
Uses(2-Aminoethyl)carbamic acid is a PROTAC linker that belongs to the PEG class. (2-Aminoethyl)carbamic acid can be used to synthesize QS-57 (HY-169081)[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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