Name: Name:methyl 3-amino-2-[(1-methyl-1H-pyrazol-4-yl)methyl]propanoate dihydrochloride
Brand: Angene
SKU: AG01AGJR
Rating: 90 (10 reviews)

methyl 3-amino-2-[(1-methyl-1H-pyrazol-4-yl)methyl]propanoate dihydrochloride

CAS No.:

1305712-50-8

Catalog Number:

AG01AGJR

Molecular Formula:

C9H17Cl2N3O2

Molecular Weight:

270.1562

Catalog Number:

AG01AGJR

Chemical Name:

methyl 3-amino-2-[(1-methyl-1H-pyrazol-4-yl)methyl]propanoate dihydrochloride

CAS Number:

1305712-50-8

Molecular Formula:

C9H17Cl2N3O2

Molecular Weight:

270.1562

MDL Number:

MFCD18089448

IUPAC Name:

methyl 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoate;dihydrochloride

InChI:

InChI=1S/C9H15N3O2.2ClH/c1-12-6-7(5-11-12)3-8(4-10)9(13)14-2;;/h5-6,8H,3-4,10H2,1-2H3;2*1H

InChI Key:

SMDFCOXKMBYLJD-UHFFFAOYSA-N

SMILES:

NCC(C(=O)OC)Cc1cnn(c1)C.Cl.Cl

Complexity:

199

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.07g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.154g/mol

Monoisotopic Mass:

269.07g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: