3-[(Aminoiminomethyl)thio]propanoic acid
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![3-[(Aminoiminomethyl)thio]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/da86311396db45fb9fcbb69910c4e4d1.png "3-[(Aminoiminomethyl)thio]propanoic acid")
3-[(Aminoiminomethyl)thio]propanoic acid
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CAS No:
5398-29-8
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Formula:
C4H8N2O2S
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Chemical Name:
3-[(Aminoiminomethyl)thio]propanoic acid
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Synonyms:
Propanoic acid,3-[(aminoiminomethyl)thio]-;Propionic acid,3-(amidinothio)-;3-[(Aminoiminomethyl)thio]propanoic acid;β-Isothiureidopropionic acid;3-(Amidinothio)propionic acid;NSC 4453;ATPN
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CAS No:
Characteristics
112.47000
-0.46
White powder
1.5±0.1 g/cm3
183-184 °C
323.4±44.0 °C at 760 mmHg
149.4±28.4 °C
1.607
Safety Information
|Danger|H301 (54.66%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P310, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 161 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-[(Aminoiminomethyl)thio]propanoic acid Use and Manufacturing
Propanoic acid, 3-[(aminoiminomethyl)thio]-: ACTIVE
Computed Properties
Molecular Weight:148.19
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:148.03064868
Monoisotopic Mass:148.03064868
Topological Polar Surface Area:113
Heavy Atom Count:9
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[(Aminoiminomethyl)thio]propanoic acid
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