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1-Phenylpyrrolidine

1-Phenylpyrrolidine structure

CAS No:
4096-21-3
Formula:
C10H13N
Chemical Name:
1-Phenylpyrrolidine
Synonyms:
Pyrrolidine,1-phenyl-;1-Phenylpyrrolidine;N-Phenylpyrrolidine;Pyrrolidinobenzene;NSC 53425;N-Phenylpyrolidine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Phenylpyrrolidine Basic Attributes

Molecular Weight：

147.221

Exact Mass：

147.22

EC Number：

223-849-0

NSC Number：

53425

DSSTox ID：

DTXSID20193963

HScode：

2933990090

Characteristics

PSA：

3.2

XLogP3：

3.6

Density：

1.0260 g/cm³ @ Temp: 25 °C

Melting Point：

101-102 °C @ Solvent: Methanol

Boiling Point：

119-120 °C

Flash Point：

89.0±15.6 °C

Refractive Index：

1.559

Water Solubility：

Not miscible in water.

Safety Information

Packing level：

III

Transport codes：

2810

hazard class code：

R21/22

safety instructions：

S28-S36/37

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:147.22
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:147.104799419
Monoisotopic Mass:147.104799419
Topological Polar Surface Area:3.2
Heavy Atom Count:11
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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