β-Amino-2-nitrobenzenepropanoic acid
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β-Amino-2-nitrobenzenepropanoic acid
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CAS No:
5678-48-8
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Formula:
C9H10N2O4
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Chemical Name:
β-Amino-2-nitrobenzenepropanoic acid
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Synonyms:
Benzenepropanoic acid,β-amino-2-nitro-;Hydrocinnamic acid,β-amino-o-nitro-;β-Amino-2-nitrobenzenepropanoic acid;3-Amino-3-(2-nitrophenyl)propionic acid;3-Amino-3-(2-nitrophenyl)propanoic acid
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CAS No:
Characteristics
109.14000
0.64
1.4±0.1 g/cm3
222 °C
423.8±35.0 °C at 760 mmHg
210.1±25.9 °C
1.613
Slightly soluble in water.
Store at 0-5°C
Safety Information
IRRITANT
36/37/38
26-36/37/39
Xi:Irritant;
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:210.19
XLogP3:-2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:210.06405680
Monoisotopic Mass:210.06405680
Topological Polar Surface Area:109
Heavy Atom Count:15
Complexity:251
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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β-Amino-2-nitrobenzenepropanoic acid
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