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6-APArelatedsubstances3(CDAT)

6-APArelatedsubstances3(CDAT) structure

CAS No:
64950-14-7
Formula:
C7H14N2O2S
Chemical Name:
6-APArelatedsubstances3(CDAT)
Synonyms:
6-APA related substances 3 (CDAT);4-Thiazolidinecarboxylic acid, 2-(aminomethyl)-5,5-dimethyl-

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6-APArelatedsubstances3(CDAT) Basic Attributes

Molecular Weight：

190.26

Exact Mass：

190.07759887

DSSTox ID：

DTXSID60794039

Characteristics

Density：

1.191±0.06 g/cm3

Melting Point：

200 °C

Boiling Point：

372.5±37.0 °C(Predicted)

PKA：

1.82±0.60

Computed Properties

Molecular Weight:190.27
XLogP3:-2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:190.07759887
Monoisotopic Mass:190.07759887
Topological Polar Surface Area:101
Heavy Atom Count:12
Complexity:196
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-APArelatedsubstances3(CDAT)

Basic Attributes
Characteristics
Computed Properties

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