3-Chloro-1-ethyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile (CAS 53661-34-0) — formula C12H13ClN2, molecular weight 220.70; category organic chemicals.
| CAS Number | 53661-34-0 |
|---|---|
| Molecular Formula | C12H13ClN2 |
| Molecular Weight | 220.70 |
| LogP | 3.7 |
| Category | Organic Chemicals |
3-Chloro-1-ethyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile is a carbon-based organic compound with CAS registry number 53661-34-0 and molecular formula C12H13ClN2 (molecular weight 220.70), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53661-34-0
Its molecular formula C12H13ClN2 comprises 12 C, 13 H, 1 Cl, 2 N atoms.
Also known as: 3-Chloro-1-ethyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile · 3-氯-1-乙基-5,6,7,8-四氢异喹啉-4-甲腈
Category: organic chemicals
The CAS registry number of 3-Chloro-1-ethyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile is 53661-34-0.
Molecular formula C12H13ClN2, molecular weight 220.70.
It is also registered under: 3-Chloro-1-ethyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile, 3-氯-1-乙基-5,6,7,8-四氢异喹啉-4-甲腈.
Category: Organic Chemicals.
Independent reference data for 3-Chloro-1-ethyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile (CAS 53661-34-0), compiled from public chemistry databases.
| CAS 号 | 53661-34-0 |
|---|---|
| PubChem CID | 3335609 |
| 分子式 | C12H13ClN2 |
| IUPAC 名称 | 3-chloro-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| UNII（FDA） | HMS1488I13 |
| Molecular Weight | 220.70 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 220.0767261 |
| Monoisotopic Mass | 220.0767261 |
| Topological Polar Surface Area | 36.7 |
| Heavy Atom Count | 15 |
3-chloro-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile; 53661-34-0; SMR000211060; ChemDiv3_005469; MLS000587077; CHEMBL1306659; HMS1488I13; HMS2600G23; CCG-23960; MFCD01949406; STK830173; AKOS001679369; IDI1_023379; CS-0359790; EU-0016059; F75646
3-氯-1-乙基-5,6,7,8-四氢异喹啉-4-甲腈 · CAS 53661-34-0 · C12H13ClN2. UNII HMS1488I13.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.