Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1)
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![Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f6f5bdc752c54771bd4a22b8178fe9fa.png "Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1)")
Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1)
structure -
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CAS No:
23256-42-0
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Formula:
C14H18N4O3.C3H6O3
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Chemical Name:
Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1)
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Synonyms:
Propanoic acid,2-hydroxy-,compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1);Lactic acid,compd. with 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine (1:1);2,4-Pyrimidinediamine,5-[(3,4,5-trimethoxyphenyl)methyl]-,mono(2-hydroxypropanoate);Trimethoprim lactate;Lactotrim;2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine lactate
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CAS No:
Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1) Basic Attributes
380.4
380.169586
245-533-1
2942000000
Characteristics
163
1.87180
white
526ºC at 760mmHg
271.9ºC
H2O: soluble 20mg/mL
2-8°C
3.74E-11mmHg at 25°C
Safety Information
III
6.1(b)
UN 2811
3
23/24/25-43-61
22-36/37/39-45-53
T
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:380.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:380.16958450
Monoisotopic Mass:380.16958450
Topological Polar Surface Area:163
Heavy Atom Count:27
Complexity:366
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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