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1820583-19-4 | tert-butyl rac-(4aR,6S,8aS)-decahydro-6-isoquinolinylcarbamate hydrochloride
CAS No: 1820583-19-4 Catalog No: AG00J29X MDL No:MFCD28038737
Product Description
Catalog Number:
AG00J29X
Chemical Name:
tert-butyl rac-(4aR,6S,8aS)-decahydro-6-isoquinolinylcarbamate hydrochloride
CAS Number:
1820583-19-4
Molecular Formula:
C14H27ClN2O2
Molecular Weight:
290.8294
MDL Number:
MFCD28038737
IUPAC Name:
tert-butyl N-[(4aR,6S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl]carbamate;hydrochloride
InChI:
InChI=1S/C14H26N2O2.ClH/c1-14(2,3)18-13(17)16-12-5-4-11-9-15-7-6-10(11)8-12;/h10-12,15H,4-9H2,1-3H3,(H,16,17);1H/t10-,11-,12+;/m1./s1
InChI Key:
BZLRTNCGVATUAQ-HSASPSRMSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CC[C@H]2[C@@H](C1)CCNC2.Cl
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
290.176g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.832g/mol
Monoisotopic Mass:
290.176g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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