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851394-30-4 | 2H-Tetrazole,5-[(2S)-2-pyrrolidinylmethyl]-
CAS No: 851394-30-4 Catalog No: AG004QSD MDL No:MFCD07776791
Product Description
Catalog Number:
AG004QSD
Chemical Name:
2H-Tetrazole,5-[(2S)-2-pyrrolidinylmethyl]-
CAS Number:
851394-30-4
Molecular Formula:
C6H11N5
Molecular Weight:
153.1850
MDL Number:
MFCD07776791
IUPAC Name:
5-[[(2S)-pyrrolidin-2-yl]methyl]-2H-tetrazole
InChI:
InChI=1S/C6H11N5/c1-2-5(7-3-1)4-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/t5-/m0/s1
InChI Key:
JTQJCMXMBWLKCI-YFKPBYRVSA-N
SMILES:
C1CN[C@@H](C1)Cc1nnn[nH]1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
153.101g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.189g/mol
Monoisotopic Mass:
153.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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