4-(4-Methyl-1,4-diazepan-1-yl)aniline - CAS 219132-82-8
Catalog: |
BB076231 |
Product Name: |
4-(4-Methyl-1,4-diazepan-1-yl)aniline |
CAS: |
219132-82-8 |
Synonyms: |
4-(4-methyl-1,4-diazepan-1-yl)aniline; 4-(4-methyl-homopiperazinyl)phenylamine |
IUPAC Name: | 4-(4-methyl-1,4-diazepan-1-yl)aniline |
Description: | 4-(4-Methyl-1,4-diazepan-1-yl)aniline (cas# 219132-82-8) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 205.29 |
Molecular Formula: | C12H19N3 |
Canonical SMILES: | CN1CCCN(CC1)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C12H19N3/c1-14-7-2-8-15(10-9-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3 |
InChI Key: | FMLOSYIZNDLWOM-UHFFFAOYSA-N |
References: | Buskes, M. J., et al. ACS Med. Chem. Lett., 11, 258 (2020); Bryan, M. C., et al. ACS Med. Chem. Lett., 7, 100 (2016). |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.157897619 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.157897619 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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