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(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²,?]decan-4-yl]butan-1-amine hydrochloride

(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²,?]decan-4-yl]butan-1-amine hydrochloride

CAS: 779357-85-6

Formula: C15H29BClNO2

SMILES: Cl.CC(C)C[C@H](N)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

IUPAC: (1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²,?]decan-4-yl]butan-1-amine hydrochloride

InChI: InChI=1S/C15H28BNO2.ClH/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;/h9-13H,6-8,17H2,1-5H3;1H/t10-,11-,12+,13-,15+;/m0./s1

Composition: C (59.72%), H (9.69%), B (3.58%), Cl (11.75%), N (4.64%), O (10.61%)

Molar Mass: 301.66

Atom Count: 49

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 301.197987
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XIWVZUJBIPFACB-CDVUYJLHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.39
Topological Polar Surface Area 44.48
Polarizability 31.07
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
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