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CAS Number: 18358-63-9
methyl 4-(methylamino)benzoate

Structure

methyl 4-(methylamino)benzoate
Name: methyl 4-(methylamino)benzoate
Synonyms:
General Information
Product Number: 18358639
CAS Registry Number: 18358-63-9
Name:
Benzoic acid, 4-​(methylamino)​-​, methyl ester
Benzoic acid, p-​(methylamino)​-​, methyl ester (6CI,​7CI,​8CI); 4-​(Methylamino)​benzoic acid methyl ester; Methyl 4-​(N-​methylamino)​benzoate; Methyl 4-​(methylamino)​benzoate; Methyl p-​(N-​methylamino)​benzoate; Methyl p-​(methylamino)​benzoate; N-​Methyl-​4-​methoxycarbonylanili​ne; NSC 109525; NSC 117658 
 
Chemical Formula: C9H11NO2
Exact Mass: 165.08
Molecular Weight: 165.19
m/z: 165.08 (100.0%), 166.08 (10.2%)
Elemental Analysis: C, 65.44; H, 6.71; N, 8.48; O, 19.37
 
InChI: InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3
InChIKey: LLAMGYUWYUMHCH-UHFFFAOYSA-N
Canonical SMILES : CNC1=CC=C(C=C1)C(=O)OC
 
Thermal Properties Value Condition Note
Melting Point 95.5 °C   (5)CAS
Melting Point 93-94 °C Solv: methanol (67-56-1) (6)CAS
Melting Point 86-88 °C   (2)CAS
Melting Point 83-85 °C   (7)CAS

Specification

98%

References
  1. (1) Sole, Daniel; Journal of Organic Chemistry 2008, V73(6), P2476-2479 CAPLUS
  2. (2) Le Pera, Adolfo; Tetrahedron 2006, V62(25), P6100-6106 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Selva, Maurizio; Journal of Organic Chemistry 2005, V70(7), P2476-2485 CAPLUS
  5. (5) Klaus, Franz; Berichte der Deutschen Chemischen Gesellschaft 1918, V51, P1036-48 CAPLUS
  6. (6) Barbero, Margherita; Synthesis 2003, (5), P742-750 CAPLUS
  7. (7) Jones, Paul; Journal of Medicinal Chemistry 1998, V41(16), P3062-3077 CAPLUS
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