2-Butenoic acid, 3-amino-, 1-methylethyl ester
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2-Butenoic acid, 3-amino-, 1-methylethyl ester
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CAS No:
14205-46-0
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Formula:
C7H13NO2
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Chemical Name:
2-Butenoic acid, 3-amino-, 1-methylethyl ester
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Synonyms:
2-Butenoic acid,3-amino-,1-methylethyl ester;Crotonic acid,3-amino-,isopropyl ester;Isopropyl β-aminocrotonate;Isopropyl 3-aminocrotonate;1-Methylethyl 3-amino-2-butenoate;1-Methylethyl 3-aminocrotonate;Isopropyl 3-amino-2-butenoate;3-Aminocrotonic acid isopropyl ester;117751-91-4
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CAS No:
Characteristics
52.32000
0.74
1.0±0.1 g/cm3
19-23ºC
80 °C @ Press: 1 Torr
92.2±0.0 °C
1.459
0.017mmHg at 25°C
Safety Information
|Danger|H331 (90.48%): Toxic if inhaled [Danger Acute toxicity, inhalation]|P261, P271, P304+P340, P311, P321, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:143.18
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:143.094628657
Monoisotopic Mass:143.094628657
Topological Polar Surface Area:52.3
Heavy Atom Count:10
Complexity:150
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Butenoic acid, 3-amino-, 1-methylethyl ester
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