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2-Butenoic acid, 3-amino-, methyl ester, (2Z)-

2-Butenoic acid, 3-amino-, methyl ester, (2Z)- structure

CAS No:
21731-17-9
Formula:
C5H9NO2
Chemical Name:
2-Butenoic acid, 3-amino-, methyl ester, (2Z)-
Synonyms:
2-Butenoic acid,3-amino-,methyl ester,(2Z)-;Crotonic acid,3-amino-,methyl ester,(Z)-;2-Butenoic acid,3-amino-,methyl ester,(Z)-;Methyl (Z)-3-aminocrotonate;Methyl (2Z)-3-amino-2-butenoate;(Z)-Methyl 3-aminobut-2-enoate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Butenoic acid, 3-amino-, methyl ester, (2Z)- Basic Attributes

Molecular Weight：

115.13

Exact Mass：

115.13

EC Number：

244-549-6

UNII：

R4X25GNG1J

DSSTox ID：

DTXSID7051715

Characteristics

PSA：

52.32000

XLogP3：

0.72220

Density：

1.031±0.06 g/cm3

Melting Point：

81-83ºC

Boiling Point：

194.1±13.0 °C(Predicted)

Flash Point：

82.8ºC

PKA：

5.27±0.70

Safety Information

hazard class code：

R22; R36/37/38

GHS Classification：

|Danger|H302 (82.93%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P284, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P320, P321, P330, P333+P313, P337+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 82 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Butenoic acid, 3-amino-, methyl ester, (2Z)- Use and Manufacturing

Manufacturing Info：

2-Butenoic acid, 3-amino-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:115.13
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:115.063328530
Monoisotopic Mass:115.063328530
Topological Polar Surface Area:52.3
Heavy Atom Count:8
Complexity:118
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Butenoic acid, 3-amino-, methyl ester, (2Z)-

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Methyl (2Z)-3-amino-2-butenoate

CAS No.: 21731-17-9

Grade: industrial Grade

Content: 98%

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Latest News on 2-Butenoic acid, 3-amino-, methyl ester, (2Z)-

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Guide of 2-Butenoic acid, 3-amino-, methyl ester, (2Z)-

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

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