671816-04-9
(1R)-TRANS-4-[N-BOC-1-AMINOETHYL]-N-4-PYRIDINYL-CYCLOHEXANECARBOXAMIDE
Name(1R)-TRANS-4-[N-BOC-1-AMINOETHYL]-N-4-PYRIDINYL-CYCLOHEXANECARBOXAMIDE
1Identification
【Name】
(1R)-TRANS-4-[N-BOC-1-AMINOETHYL]-N-4-PYRIDINYL-CYCLOHEXANECARBOXAMIDE
【CAS】
【MDL】
MFCD16294318
【English Synonyms】
【Formula】
C19 H29 N3 O3
【MolWeight】
347.456
【Inchi】
InChI=1S/C19H29N3O3/c1-13(21-18(24)25-19(2,3)4)14-5-7-15(8-6-14)17(23)22-16-9-11-20-12-10-16/h9-15H,5-8H2,1-4H3,(H,21,24)(H,20,22,23)/t13-,14-,15-/m1/s1
【InChIKey】
InChIKey=YHCODQSFLBHLDV-RBSFLKMASA-N
【SMILES】
C[C@H]([C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2)NC(=O)OC(C)(C)C
【MOL File】
(1R)-TRANS-4-[N-BOC-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1R)-TRANS-4-[N-BOC-1-AMINOETHYL]-N-4-PYRIDINYL-CYCLOHEXANECARBOXAMIDE.cml