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N-Benzyl-3-pyrrolidinecarboxylicacid

N-Benzyl-3-pyrrolidinecarboxylicacid structure

CAS No:
5731-18-0
Formula:
C12H15NO2
Chemical Name:
N-Benzyl-3-pyrrolidinecarboxylicacid
Synonyms:
1-BENZYL-DL-SS-PROLINE;1-BENZYL-DL-BETA-PROLINE;1-BOC-3-PYRROLIDINE CARBOXYLIC ACID;N-BENZYL-3-PYRROLIDINECARBOXYLIC ACID;1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID;3-Pyrrolidinecarboxylic acid, 1-(phenylMethyl)-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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N-Benzyl-3-pyrrolidinecarboxylicacid Basic Attributes

Molecular Weight：

205.25

Exact Mass：

205.110275

DSSTox ID：

DTXSID80404946

HScode：

2933990090

Characteristics

PSA：

40.5

XLogP3：

1.40

Density：

1.2±0.1 g/cm3

Melting Point：

106-108 °C(Solv: methanol (67-56-1); acetone (67-64-1))

Boiling Point：

343.1±35.0 °C at 760 mmHg

Flash Point：

161.3±25.9 °C

Refractive Index：

1.588

Safety Information

Hazard category：

IRRITANT, HYGROSCOPIC

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302-H317

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:205.25
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:205.110278721
Monoisotopic Mass:205.110278721
Topological Polar Surface Area:40.5
Heavy Atom Count:15
Complexity:224
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-Benzyl-3-pyrrolidinecarboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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N-Benzyl-3-pyrrolidinecarboxylicacid

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