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ETHYLCARBAMOYLACETATE

ETHYLCARBAMOYLACETATE structure

CAS No:
7597-56-0
Formula:
C5H9NO3
Chemical Name:
ETHYLCARBAMOYLACETATE
Synonyms:
Ethyl malonamate.;ETHYL AMIDOMALONATE;ETHYL CARBAMOYLACETATE;ETHYL MALONATE MONOAMIDE;2-(ethylcarbaMoyl)acetate;Ethyl 3-amino-3-oxopropanoate;PROPANOIC ACID, 3-AMINO-3-OXO-, ETHYL ESTER
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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ETHYLCARBAMOYLACETATE Basic Attributes

Molecular Weight：

131.13

Exact Mass：

131.058243

NSC Number：

42301

DSSTox ID：

DTXSID50285562

Characteristics

PSA：

69.4

XLogP3：

-0.4

Density：

1.1±0.1 g/cm3

Melting Point：

47-50 °C

Boiling Point：

265.6°C at 760 mmHg

Flash Point：

149.5±18.9 °C

Refractive Index：

1.443

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:131.13
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:131.058243149
Monoisotopic Mass:131.058243149
Topological Polar Surface Area:69.4
Heavy Atom Count:9
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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