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Ethyl 2-((propan-2-yl)amino)acetate

HCID 351625
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3183-22-0
Standard SMILES
CCOC(=O)CNC(C)C
InChIKey
ROGQHXXFNVNMSC-UHFFFAOYSA-N
Molecular formula
C7H15NO2
Average molar mass
145.2 g/mol
Monoisotopic mass
145.11027872

Names & identifiers

Preferred name
Ethyl 2-((propan-2-yl)amino)acetate
IUPAC
ethyl 2-(propan-2-ylamino)acetate
English name
Glycine,N-(1-methylethyl)-, ethyl ester
Molecular formula
C7H15NO2
Molecular weight
145.2

Names & synonyms

ethyl 2-[(propan-2-yl)amino]acetateEthyl 2-((propan-2-yl)amino)acetateRefChem:593587846-999-43183-22-0ethyl 2-(propan-2-ylamino)acetateethyl 2-(isopropylamino)acetateGlycine,N-(1-methylethyl)-, ethyl esterMFCD11149656Ethyl 2-[Isopropylamino]acetateNSC522505ethyl N-isopropylaminoacetate
Show more names
ethyl isopropylglycinateN-Isopropyl-glycine ethyl ester
SCHEMBL452234Ethyl N-(propan-2-yl)glycinateDTXSID60325988ROGQHXXFNVNMSC-UHFFFAOYSA-Nethyl[(1-methylethyl)amino]acetateethyl [(1-methylethyl)amino]acetateethyl2-[(propan-2-yl)amino]acetateisopropylamino-acetic acid ethyl ester

Database identifiers

CAS
3183-22-0
PubChem CID
351625
DTXSID
DTXSID60325988
EC Number
846-999-4
Nikkaji
J1.388.003D

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
10
Formal charge
0
Complexity
102

Physicochemical properties

Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314
Precautionary statements
260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

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 · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS05
Hazard statements
H314
Precautionary statements
P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Suppliers4 total

苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海旺珐化工科技有限公司(安徽珐诺伊医药科技有限公司)13918479294 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]

Related reactions

23 records
New reaction record
HRID 69669 reaction equation
HRID 69669As productuspto-grants-2014_09
HRID 168835 reaction equation
HRID 168835As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 217116 reaction equation
HRID 217116As productuspto-grants-2012_06
HRID 223413 reaction equation
HRID 223413As reactantuspto-grants-1982_10
HRID 556487 reaction equation
HRID 556487As reactantuspto-grants-2011_11
HRID 648487 reaction equation
HRID 648487As reactantuspto-grants-1988_04
HRID 716296 reaction equation
HRID 716296As productuspto-grants-2015_11
HRID 716297 reaction equation
HRID 716297As reactantuspto-grants-2015_11
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes