| CAS Number | 143525-69-3 |
| Catalog Number | AG007K1C(AGN-PC-0JRGVZ) |
| Chemical Name | 2-Methyl-4-(pyrrolidin-1-yl)aniline hydrochloride |
| IUPAC Name | 2-methyl-4-pyrrolidin-1-ylaniline |
| InChI | InChI=1S/C11H16N2/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3 |
| InChI Key | VRJYOMHGXWVGNA-UHFFFAOYSA-N |
| MDL Number | MFCD07287970 |
| Molecular Formula | C11H17ClN2 |
| Molecular Weight | 212.7191 |
| SMILES | CC1=C(N)C=CC(N2CCCC2)=C1 |
| Synonyms | 143525-69-3,
2-METHYL-4-(1-PYRROLIDINYL)ANILINE,
2-methyl-4-(pyrrolidin-1-yl)aniline,
2-methyl-4-pyrrolidin-1-ylaniline,
SCHEMBL2923577,
DTXSID40931940,
ZINC3887974,
AKOS008967721,
AS-9967,
MCULE-5455251686,
NE37657,
2-Methyl-4-(1-pyrrolidinyl)benzenamine,
Benzenamine, 2-methyl-4-(1-pyrrolidinyl)-,
FT-0681390,
AC1L9Z6W,
CID458798,
ZINC03887974,
I11-819,
2-METHYL-4-PYRROLIDIN-1-YLANILINEHYDROCHLORIDE,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.131349g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.26g/mol |
| Monoisotopic Mass | 176.131349g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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