Basic information
- CAS
55112-89-5- Standard SMILES
CCCCN(CCCl)CCCl.Cl- InChIKey
DNGSHNXJZOYVGI-UHFFFAOYSA-N- Molecular formula
- C8H18Cl3N
- Average molar mass
- 234.6 g/mol
- Monoisotopic mass
- 233.05048262
Names & identifiers
- Preferred name
- Butylamine, N,N-bis(2-chloroethyl)-, hydrochloride
- IUPAC
- N,N-bis(2-chloroethyl)butan-1-amine;hydrochloride
- English name
- TL-513 hydrochloride
- Molecular formula
- C8H18Cl3N
- Molecular weight
- 234.59422
Names & synonyms
TL 513 hydrochloride55112-89-5Butylamine, N,N-bis(2-chloroethyl)-, hydrochlorideNSC 72200N,N-Bis(2-chloroethyl)butylamine hydrochloride1-Butanamine, N,N-bis(2-chloroethyl)-, hydrochlorideButyl-bis(beta-chloroethyl)amine hydrochloriden-Butyl-bis(2-chloroethylamine) hydrochlorideDiethylamine, 2,2'-dichloro-N-butyl-, hydrochlorideDiethylamine, N-butyl-2,2'-dichloro-, hydrochlorideDTXSID40203634RefChem:331102
Show more names
TL-513 hydrochloride
DTXCID701261251-Butanamine, N,N-bis(2-chloroethyl)-, hydrochloride (9CI)NSC-7220077CT2QFB9ASCHEMBL11709847DNGSHNXJZOYVGI-UHFFFAOYSA-NNSC72200N,N-Bis(2-chloroethyl)-1-butanamine hydrochloride
Database identifiers
- CAS
55112-89-5- PubChem CID
- 108674
- DTXSID
DTXSID40203634- UNII
- 77CT2QFB9A
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 72.5
Physicochemical properties
- Toxicity
- 50 ipr-mus: · LD50 ipr-mus: 4890 mg/kg CANCAR 2,1055,49
Safety & regulation
Safety data
- Toxicity
- LD50 ipr-mus: 4890 mg/kg CANCAR 2,1055,49
Related reactions
1 records
Compound notes
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