(5S)-2-Amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl methyl hydrogen phosphate
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![(5S)-2-Amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl methyl hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8650de509cbc4397bb2c479b6d52ed16.png "(5S)-2-Amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl methyl hydrogen phosphate")
(5S)-2-Amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl methyl hydrogen phosphate
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CAS No:
103170-78-1
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Formula:
C7H17N4O4P
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Chemical Name:
(5S)-2-Amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl methyl hydrogen phosphate
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Synonyms:
Phosphoric acid,mono[(5S)-2-amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl] monomethyl ester;1H-Imidazole-5-methanamine,2-amino-4,5-dihydro-1-[(hydroxymethoxyphosphinyl)oxy]-N,N-dimethyl-,(S)-;1H-Imidazole-5-methanamine,2-amino-4,5-dihydro-1-[(hydroxymethoxyphosphinyl)oxy]-N,N-dimethyl-,(5S)-;(5S)-2-Amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl methyl hydrogen phosphate;Anatoxin a(s);Antx-a(s)
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CAS No:
(5S)-2-Amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl methyl hydrogen phosphate Basic Attributes
236.21
252.21
4258P76E76
Characteristics
101
-4.4
1.52g/cm3
361.7ºC at 760mmHg
172.6ºC
1.591
3.24E-06mmHg at 25°C
Peritoneal-mouse LD50: 0.04 mg/kg
Flammable, decomposes toxic nitrogen oxide gas when burning
other linear non-peptide
Safety Information
Treasury is low temperature, ventilated, dry; stored separately from food raw materials
Computed Properties
Molecular Weight:252.21
XLogP3:-4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:252.09874203
Monoisotopic Mass:252.09874203
Topological Polar Surface Area:101
Heavy Atom Count:16
Complexity:322
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(5S)-2-Amino-5-[(dimethylamino)methyl]-4,5-dihydro-1H-imidazol-1-yl methyl hydrogen phosphate
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