| SpectraBase Spectrum ID |
KGYEEuy2VUr |
| Name |
A-943931 HCl |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
34554 |
| Lot Number |
0619298-3 |
| Accessory |
DurasamplIR II |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.143615844 u |
| Formula |
C17H25Cl2N5O |
| InChI |
InChI=1S/C17H21N5.2ClH.H2O/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16;;;/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21);2*1H;1H2/t12-;;;/m1.../s1 |
| InChIKey |
FIZFLIYBVYYMAI-CSIATVMVSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
386.327 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
O.C=1(N=C2C(=C(N1)N1C[C@@](CC1)(N)[H])CCCC=1C2=CC=CC1)N.Cl.Cl |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
4-[(3R)-3-amino-1-pyrrolidinyl]-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-amine, dihydrochloride, hydrate |
| Technique |
ATR-Neat |
