Name: Name:methyl 1-(azepan-4-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride
Brand: Angene
SKU: AG01EHX7
Rating: 90 (10 reviews)

methyl 1-(azepan-4-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride

CAS No.:

2138573-41-6

Catalog Number:

AG01EHX7

Molecular Formula:

C10H17ClN4O2

Molecular Weight:

260.7206

Catalog Number:

AG01EHX7

Chemical Name:

methyl 1-(azepan-4-yl)-1H-1,2,3-triazole-4-carboxylate hydrochloride

CAS Number:

2138573-41-6

Molecular Formula:

C10H17ClN4O2

Molecular Weight:

260.7206

MDL Number:

MFCD31559219

IUPAC Name:

methyl 1-(azepan-4-yl)triazole-4-carboxylate;hydrochloride

InChI:

InChI=1S/C10H16N4O2.ClH/c1-16-10(15)9-7-14(13-12-9)8-3-2-5-11-6-4-8;/h7-8,11H,2-6H2,1H3;1H

InChI Key:

VMUIKVNJTJFSSK-UHFFFAOYSA-N

SMILES:

COC(=O)c1nnn(c1)C1CCNCCC1.Cl

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.722g/mol

Monoisotopic Mass:

260.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: