4-(4-methyl-1,4-diazepan-1-yl)benzoic acid
Modify Date: 2025-11-25 19:15:38
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid structure
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Common Name | 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 730933-25-2 | Molecular Weight | 234.29400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H18N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.29400 |
| Exact Mass | 234.13700 |
| PSA | 43.78000 |
| LogP | 1.52960 |
| InChIKey | UHGWCXACFHTELK-UHFFFAOYSA-N |
| SMILES | CN1CCCN(c2ccc(C(=O)O)cc2)CC1 |
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~99%
4-(4-methyl-1,4... CAS#:730933-25-2 |
| Literature: Koshio, Hiroyuki; Hirayama, Fukushi; Ishihara, Tsukasa; Shiraki, Ryouta; Shigenaga, Takeshi; Taniuchi, Yuta; Sato, Kazuo; Moritani, Yumiko; Iwatsuki, Yoshiyuki; Kaku, Seiji; Katayama, Naoko; Kawasaki, Tomihisa; Matsumoto, Yuzo; Sakamoto, Shuichi; Tsukamoto, Shin-Ichi Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 4 p. 1305 - 1323 |
| Precursor 1 | |
|---|---|
| DownStream 0 | |
| Benzoic acid,4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl) |
| 4-(4-Methyl-[1,4]diazepan-1-yl)-benzoic acid |