Methyl3,4-diaminobenzoate
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Methyl3,4-diaminobenzoate
structure -
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CAS No:
36692-49-6
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Formula:
C8H10N2O2
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Chemical Name:
Methyl3,4-diaminobenzoate
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Synonyms:
3,4-DIAMINOBENZOIC ACID METHYL ESTER;BUTTPARK 96\50-24;METHYL 3,4-DIAMINOBENZENECARBOXYLATE;METHYL 3,4-DIAMINOBENZOATE;Methyldibromobenzoate;3,4-DIAMINOBENZOIC ACID METHYL ESTER 97%;3 5-DIAMINO-2-METHYL BENZOIC ACID 97%;BENZOICACID,3,4-DIAMINO-,METHYLESTER
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CAS No:
Characteristics
78.34000
1.80000
1.260±0.06 g/cm3
105-110 °C
376.9±22.0 °C(Predicted)
224.6ºC
1.583
3.02±0.10
Safety Information
Ⅲ
IRRITANT
2811
3
36/37/38-20/21/22-22
26-36/37/39-36/37
Xi,Xn
|Danger|H301 (86.96%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:166.18
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:166.074227566
Monoisotopic Mass:166.074227566
Topological Polar Surface Area:78.3
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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