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CHEMBRDG-BB4100070

CHEMBRDG-BB4100070 structure

CAS No:
3161-08-8
Formula:
C16H18N2O2
Chemical Name:
CHEMBRDG-BB4100070
Synonyms:
OTAVA-BB1037801;CHEMBRDG-BB4100070;6,7-DIMETHOXY-1-PYRIDIN-3-YL-1,2,3,4-TETRAHYDROISOQUINOLINE;6,7-dimethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline1.5H2C2O4;6,7-dimethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline(SALTDATA:1.5H2C2O4)

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CHEMBRDG-BB4100070 Basic Attributes

Molecular Weight：

270.32600

Exact Mass：

270.13700

HScode：

2933990090

Characteristics

PSA：

43.38000

XLogP3：

2.66270

Density：

1.137g/cm3

Boiling Point：

418.9ºC at 760 mmHg

Flash Point：

207.1ºC

Refractive Index：

1.567

Drug Information

MeSH Entry Terms：

6,7-dimethoxy-1-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Computed Properties

Molecular Weight:270.33
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:270.136827821
Monoisotopic Mass:270.136827821
Topological Polar Surface Area:43.4
Heavy Atom Count:20
Complexity:313
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of CHEMBRDG-BB4100070

Basic Attributes
Characteristics
Drug Information
Computed Properties

CHEMBRDG-BB4100070

SDS

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