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2-Piperidineacetic acid, α-phenyl-

2-Piperidineacetic acid, α-phenyl- structure

CAS No:
19395-41-6
Formula:
C13H17NO2
Chemical Name:
2-Piperidineacetic acid, α-phenyl-
Synonyms:
2-Piperidineacetic acid,α-phenyl-;α-Phenyl-2-piperidineacetic acid;Ritalinic acid;Rilatinic acid;2-Phenyl-2-(piperidin-2-yl)acetic acid;2-Phenyl-2-piperidin-2-ylacetic acid
Categories:
Analytical Chemistry > Analysis Reagents

Description

Off-White SolidChEBI: A monocarboxylic acid that is phenylacetic acid substituted by a piperidin-2-yl group at position 2. It is a metabolite of the drug methylphenidate.

Ritalinic acid is a monocarboxylic acid that is phenylacetic acid substituted by a piperidin-2-yl group at position 2. It is a metabolite of the drug methylphenidate. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a monocarboxylic acid and a member of piperidines.

2-Piperidineacetic acid, α-phenyl- Basic Attributes

Molecular Weight：

219.28

Exact Mass：

219.28

EC Number：

243-020-7

HScode：

2933399090

Characteristics

PSA：

49.3

XLogP3：

2.08

Density：

1.138±0.06 g/cm3(Predicted)

Melting Point：

248 °C (decomp)

Boiling Point：

367.7±17.0 °C(Predicted)

Flash Point：

176.2±20.9 °C

Refractive Index：

1.554

Storage Conditions：

2-8°C

Collision Cross Section：

150 Å² [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 50 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha-phenyl-2-piperidineacetic acid

2-Piperidineacetic acid, α-phenyl- Use and Manufacturing

A major metabolite of Methylphenidate

Computed Properties

Molecular Weight:219.28
XLogP3:-2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:219.125928785
Monoisotopic Mass:219.125928785
Topological Polar Surface Area:49.3
Heavy Atom Count:16
Complexity:236
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Piperidineacetic acid, α-phenyl-

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

2-Piperidineacetic acid, α-phenyl-

SDS

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