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CAS Number: 10282-30-1
4-(pyrrolidin-1-yl)benzonitrile

Structure

 4-(pyrrolidin-1-yl)benzonitrile
Name: 4-(pyrrolidin-1-yl)benzonitrile
Synonyms:
General Information
Product Number: 10282301

CAS Registry Number 10282-30-1
Name:
Benzonitrile, 4-?(1-?pyrrolidinyl)?-
Benzonitrile, p-1-pyrrolidinyl- (7CI,8CI)
4-(1-Pyrrolidinyl)benzonitrile
4-(N-Pyrrolidinyl)benzonitrile
4-Pyrrolidinobenzonitrile
N-(4-Cyanophenyl)pyrrolidine

 

Chemical Formula: C11H12N2
Exact Mass: 172.10
Molecular Weight: 172.23
m/z: 172.10 (100.0%), 173.10 (12.6%)

 

InChI:InChI=1S/C11H12N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-8H2

InChI Key:ZNMSYUCZLWETII-UHFFFAOYSA-N

Canonical SMILES:C1CCN(C1)C2=CC=C(C=C2)C#N

 

Thermal Properties Value Condition Note
Melting Point 142-144 °C   (4)CAS
Melting Point 90-91 °C   (10)IC
Melting Point 90-91 °C   (11)IC
Melting Point 88-90 °C   (7)CAS
Melting Point 84-85 °C Solv: ligroine (8032-32-4) (12)IC
Melting Point 81.3-82.8 °C   (9)CAS

Specification

98%
References
  1. (4) Lakshminarayana, N.; European Journal of Medicinal Chemistry 2010, V45(9), P3709-3718 CAPLUS
  2. (7) Zhang, Hui; Journal of Organic Chemistry 2005, V70(13), P5164-5173 CAPLUS
  3. (9) Van Baelen, Gitte; Tetrahedron 2008, V64(23), P5604-5619 CAPLUS
  4. (10) Ibata, Toshikazu; Chemistry Letters 1987, (6), P1187-90 CAPLUS
  5. (11) Ibata, Toshikazu; Bulletin of the Chemical Society of Japan 1991, V64(1), P42-9 CAPLUS
  6. (12) Merkel, Wulf; Liebigs Annalen der Chemie 1979, (4), P461-9 CAPLUS
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