Product Number: 1019450
CAS Registry Number: 1019-45-0
Name:
1H-Indole-3-ethanamine, 5-methoxy-N,N-dimethyl-
Indole, 3-[2-(dimethylamino)ethyl]-5-methoxy- (6CI,7CI,8CI); 3-(2-Dimethylaminoethyl)-5-methoxyindole; 5-MeO-DMT; 5-Methoxy-N,N-dimethyltryptamine; 5-Methoxydimethyltryptamine; Bufotenine, O-methyl-; CT 4334; Methoxybufotenin; Methylbufotenine; N,N-Dimethyl-5-methoxytryptamine; NSC 88624; O-Methylbufotenine
Chemical Formula: C13H18N2O
Exact Mass: 218.14
Molecular Weight: 218.29
m/z: 218.14 (100.0%), 219.15 (14.3%), 220.15 (1.2%)
Elemental Analysis: C, 71.53; H, 8.31; N, 12.83; O, 7.33
InChI: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKey: ZSTKHSQDNIGFLM-UHFFFAOYSA-N
Canonical SMILES : CN(C)CCC1=CNC2=C1C=C(C=C2)OC
| Thermal Properties |
Value |
Condition |
Note |
| Boiling Point |
208-210 °C |
|
(1)CAS |
| Melting Point |
148-149 °C |
|
(8)CAS |
| Melting Point |
69 °C |
|
(12)CAS |
| Melting Point |
68 °C |
|
(13)CAS |
| Melting Point |
67-67.5 °C |
Solv: hexane (110-54-3) |
(14)CAS |
| Melting Point |
66-67 °C |
|
(1)CAS |
|
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- (2) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
- (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
- (4) Trinh, Phuong Lien; Tap Chi Hoa Hoc 2002, V40(4), P79-83 CAPLUS
- (5) Vermeulen, Erik S.; Journal of Medicinal Chemistry 2004, V47(22), P5451-5466 CAPLUS
- (6) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
- (7) Katagi, Munehiro; Japanese Journal of Forensic Toxicology 2002, V20(3), P303-319 CAPLUS
- (8) Yasuoka, Takahide; Kanzei Chuo Bunsekishoho 2003, V43, P63-69 CAPLUS
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- (10) BIORAD: Portions provided by AAFS, Toxicology Section. Copyright Bio-Rad Laboratories. All Rights Reserved.
- (11) Ikhiri, Khalid; Journal of Natural Products 1987, V50(4), P626-30 CAPLUS
- (12) Ghosal, S.; Chemistry & Industry (London, United Kingdom) 1964, (43), P1800 CAPLUS
- (13) Revial, Gilbert; Journal of Organic Chemistry 2002, V67(7), P2252-2256 CAPLUS
- (14) Bertaccini, Giulio; Farmaco, Edizione Scientifica 1967, V22(4), P229-44 CAPLUS
- (15) May, Jesse A.; Journal of Medicinal Chemistry 2006, V49(1), P318-328 CAPLUS
- (16) Hays, Patrick A.; Journal of Forensic Sciences 2005, V50(6), P1342-1360 CAPLUS
- (17) Sharma, Neera; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 2007, V68A(3), P927-941 CAPLUS
- (18) Huhn, Carolin; Electrophoresis 2005, V26(12), P2391-2401 CAPLUS
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