Pivalamidine Hydrochloride - CAS 18202-73-8

Catalog:	BB013856
Product Name:	Pivalamidine Hydrochloride
CAS:	18202-73-8
Synonyms:	2,2-dimethylpropanimidamide;hydrochloride; 2,2-dimethylpropanimidamide;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2,2-dimethylpropanimidamide;hydrochloride
Description:	Pivalamidine Hydrochloride (CAS# 18202-73-8) is used as a reagent in the preparation of 2-alkyl-4-aryltetrahydropyridopyrimidines and 2-alkyl-4-aryl-tetrahydropyrimidoazepines as selective 5-HT2A antagonists.
Molecular Weight:	136.62
Molecular Formula:	C5H13ClN2
Canonical SMILES:	CC(C)(C)C(=N)N.Cl
InChI:	InChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H
InChI Key:	ARDGQYVTLGUJII-UHFFFAOYSA-N
Boiling Point:	126.9 °C at 760 mmHg
Density:	0.92 g/cm³
MDL:	MFCD00051988
LogP:	2.57050

Publication Number	Title	Priority Date
CN-113200865-A	Synthetic method of diafenthiuron impurity A, B	20210329
AU-2017382339-A1	NMDA receptor modulators and uses thereof	20161222
CA-3047403-A1	Nmda receptor modulators and uses thereof	20161222
EP-3558318-A1	Nmda receptor modulators and uses thereof	20161222
JP-2020504743-A	NMDA receptor modulator and use thereof	20161222

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

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GHS Hazard Statement:	H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	78.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.0767261
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	136.0767261
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0