3-[Bis(2-chloroethyl)amino]-p-toluic acid heptadecyl ester (CAS 21447-82-5) — formula C29H49Cl2NO2, molecular weight 514.6; category organic chemicals.
| CAS Number | 21447-82-5 |
|---|---|
| Molecular Formula | C29H49Cl2NO2 |
| Molecular Weight | 514.6 |
| LogP | 11.7 |
| Category | Organic Chemicals |
3-[Bis(2-chloroethyl)amino]-p-toluic acid heptadecyl ester is a carbon-based organic compound with CAS registry number 21447-82-5 and molecular formula C29H49Cl2NO2 (molecular weight 514.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21447-82-5
Its molecular formula C29H49Cl2NO2 comprises 29 C, 49 H, 2 Cl, 1 N, 2 O atoms.
Also known as: 3-[Bis(2-chloroethyl)amino]-p-toluic acid heptadecyl ester · 3-[双(2-氯乙基)氨基]-对甲基苯甲酸十七烷基酯
Category: organic chemicals
The CAS registry number of 3-[Bis(2-chloroethyl)amino]-p-toluic acid heptadecyl ester is 21447-82-5.
Molecular formula C29H49Cl2NO2, molecular weight 514.6.
It is also registered under: 3-[Bis(2-chloroethyl)amino]-p-toluic acid heptadecyl ester, 3-[双(2-氯乙基)氨基]-对甲基苯甲酸十七烷基酯.
Category: Organic Chemicals.
Independent reference data for 3-[Bis(2-chloroethyl)amino]-p-toluic acid heptadecyl ester (CAS 21447-82-5), compiled from public chemistry databases.
| CAS 号 | 21447-82-5 |
|---|---|
| PubChem CID | 88909 |
| 分子式 | C29H49Cl2NO2 |
| IUPAC 名称 | heptadecyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate |
| Molecular Weight | 514.6 |
|---|---|
| XLogP3 | 11.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 23 |
| Exact Mass | 513.3140352 |
| Monoisotopic Mass | 513.3140352 |
| Topological Polar Surface Area | 29.5 |
| Heavy Atom Count | 34 |
BRN 3111960; 21447-82-5; 3-(Bis(2-chloroethyl)amino)-p-toluic acid, heptadecyl ester; p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester; RefChem:367795; heptadecyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate; DTXSID60944037
3-[双(2-氯乙基)氨基]-对甲基苯甲酸十七烷基酯 · CAS 21447-82-5 · C29H49Cl2NO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.