| CAS Number | 893745-81-8 |
| Catalog Number | AG003WG4(AGN-PC-02MFLW) |
| Chemical Name | 4-(Pyrrolidin-1-ylmethyl)thiophene-2-carbaldehyde |
| IUPAC Name | 4-(pyrrolidin-1-ylmethyl)thiophene-2-carbaldehyde |
| InChI | InChI=1S/C10H13NOS/c12-7-10-5-9(8-13-10)6-11-3-1-2-4-11/h5,7-8H,1-4,6H2 |
| InChI Key | XVGJHCFLKVCPRK-UHFFFAOYSA-N |
| MDL Number | MFCD06803374 |
| Molecular Formula | C10H13NOS |
| Molecular Weight | 195.2813 |
| SMILES | C1(CN2CCCC2)=CSC(C=O)=C1 |
| Synonyms | 4-(PYRROLIDIN-1-YLMETHYL)THIOPHENE-2-CARBALDEHYDE,
893745-81-8,
4-(1-Pyrrolidinylmethyl)-2-thiophenecarbaldehyde,
CTK5G3017,
DTXSID00602366,
5511AH,
MFCD06803374,
ZINC16943329,
AKOS003657143,
AJ-69648,
Y-2580,
4-[(Pyrrolidin-1-yl)methyl]thiophene-2-carbaldehyde,
4-(1-Pyrrolidinylmethyl)-2-thiophenecarbaldehyde, AldrichCPR,
C10H13NOS,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.28g/mol |
| Monoisotopic Mass | 195.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number