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3-(piperidin-1-ylmethyl)benzoic acid,hydrate,dihydrochloride

3-(piperidin-1-ylmethyl)benzoic acid,hydrate,dihydrochloride structure

CAS No:
863991-96-2
Formula:
C26H38Cl2N2O5
Chemical Name:
3-(piperidin-1-ylmethyl)benzoic acid,hydrate,dihydrochloride
Synonyms:
bis(3-(piperidin-1-ylmethyl)benzoic acid) hydrate dihydrochloride; 3-(Piperdin-1-ylmethyl)benzoic acid hydrochloride hemihydrate; OR3799;

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3-(piperidin-1-ylmethyl)benzoic acid,hydrate,dihydrochloride Basic Attributes

Molecular Weight：

529.49600

Exact Mass：

528.2157777

DSSTox ID：

DTXSID10657145

Characteristics

PSA：

90.31000

XLogP3：

6.15690

Melting Point：

234-236ºC

Boiling Point：

459.2ºC

Flash Point：

231.5ºC

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:529.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:528.2157777
Monoisotopic Mass:528.2157777
Topological Polar Surface Area:82.1
Heavy Atom Count:35
Complexity:236
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes

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3-(piperidin-1-ylmethyl)benzoic acid

158861-24-6

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Guide of 3-(piperidin-1-ylmethyl)benzoic acid,hydrate,dihydrochloride

Basic Attributes
Characteristics
Safety Information
Computed Properties
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