105099-14-7
N-(HEXAHYDRO-1-METHYL-2H-AZEPIN-2-YLIDENE)-L-CYSTEINE
NameN-(HEXAHYDRO-1-METHYL-2H-AZEPIN-2-YLIDENE)-L-CYSTEINE
1Identification
【Name】
N-(HEXAHYDRO-1-METHYL-2H-AZEPIN-2-YLIDENE)-L-CYSTEINE
【CAS】
【MDL】
MFCD01736012
【English Synonyms】
【Formula】
C10 H18 N2 O2 S
【MolWeight】
230.33
【Inchi】
InChI=1S/C10H18N2O2S/c1-12-6-4-2-3-5-9(12)11-8(7-15)10(13)14/h8,15H,2-7H2,1H3,(H,13,14)/b11-9+/t8-/m0/s1
【InChIKey】
InChIKey=YWCBQQIRMJYFHS-QMIUEANQSA-N
【SMILES】
CN\1CCCCC/C1=N\[C@@H](CS)C(=O)O
【MOL File】
N-(HEXAHYDRO-1-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(HEXAHYDRO-1-METHYL-2H-AZEPIN-2-YLIDENE)-L-CYSTEINE.cml