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70505-90-7 molecular structure
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1'-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-amine hydrochloride

ChemBase ID: 242781
Molecular Formular: C14H21ClN2O
Molecular Mass: 268.78234
Monoisotopic Mass: 268.13424098
SMILES and InChIs

SMILES:
O1C2(CC(c3c1cccc3)N)CCN(CC2)C.Cl
Canonical SMILES:
CN1CCC2(CC1)CC(N)c1c(O2)cccc1.Cl
InChI:
InChI=1S/C14H20N2O.ClH/c1-16-8-6-14(7-9-16)10-12(15)11-4-2-3-5-13(11)17-14;/h2-5,12H,6-10,15H2,1H3;1H
InChIKey:
NNVNAJGCZFCILW-UHFFFAOYSA-N

Cite this record

CBID:242781 http://www.chembase.cn/molecule-242781.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1'-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-amine hydrochloride
IUPAC Traditional name
1'-methyl-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-amine hydrochloride
Synonyms
1'-methyl-3,4-dihydrospiro[chromene-2,4'-piperidin]-4-amine hydrochloride
CAS Number
70505-90-7
MDL Number
MFCD08445275
PubChem SID
164298691
PubChem CID
43810428

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-11671 external link Add to cart Please log in.
Data Source Data ID
PubChem 43810428 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.774483  LogD (pH = 7.4) -1.8148248 
Log P 0.8401197  Molar Refractivity 68.9019 cm3
Polarizability 27.34215 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
232 - 234°C expand Show data source
Hydrophobicity(logP)
0.976 expand Show data source
Purity
95% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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