Methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amine Hydrochloride - CAS 1788989-09-2

Name: Methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amine Hydrochloride
Brand: BOC Sciences
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Catalog:	BB059138
Product Name:	Methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amine Hydrochloride
CAS:	1788989-09-2
Synonyms:	N, 1- Dimethyl-1H- pyrazole- 5- methanamine Hydrochloride; N-Methyl-1-(1-methyl-1H-pyrazol-5-yl)methanamine Hydrochloride

Technical Data

IUPAC Name:	N-methyl-1-(2-methylpyrazol-3-yl)methanaminehydrochloride
Description:	Methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amine Hydrochloride is a salt analog of N-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]amine (CAT# M104340), which can be useful in the preparation of adamantyl carboxamides and acetamides as potent human 11β- hydroxysteroid dehydrogenase type 1 inhibitors.
Molecular Weight:	125.17 + 36.46
Molecular Formula:	C6H11N3·HCl
Canonical SMILES:	CNCC1=CC=NN1C.Cl
InChI:	InChI=1S/C6H11N3.ClH/c1-7-5-6-3-4-8-9(6)2/h3-4,7H,5H2,1-2H31H
InChI Key:	SECXWQBAKIIPNJ-UHFFFAOYSA-N
References:	Su, X., et al. Bioorg. Med. Chem., 20, 6394 (2012).

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	84.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.0719751
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.0719751
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0