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1220039-36-0 | 4-Thiomorpholinecarboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
CAS No: 1220039-36-0 Catalog No: AG0016L7 MDL No:MFCD11848391
Product Description
Catalog Number:
AG0016L7
Chemical Name:
4-Thiomorpholinecarboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
CAS Number:
1220039-36-0
Molecular Formula:
C10H20N2O2S
Molecular Weight:
232.3430
MDL Number:
MFCD11848391
IUPAC Name:
tert-butyl 3-(aminomethyl)thiomorpholine-4-carboxylate
InChI:
InChI=1S/C10H20N2O2S/c1-10(2,3)14-9(13)12-4-5-15-7-8(12)6-11/h8H,4-7,11H2,1-3H3
InChI Key:
DDVWZKBCRRKHPY-UHFFFAOYSA-N
SMILES:
NCC1CSCCN1C(=O)OC(C)(C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.125g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.342g/mol
Monoisotopic Mass:
232.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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