N-Benzyl-2-methylpropan-1-amine--hydrogen chloride (1/1)
Basic information
- CAS
23530-81-6- Standard SMILES
CC(C)CNCc1ccccc1.Cl- InChIKey
YSAPRFYNBAHLNL-UHFFFAOYSA-N- Molecular formula
- C11H18ClN
- Average molar mass
- 199.72 g/mol
- Monoisotopic mass
- 199.1127773
Names & identifiers
- Preferred name
- N-Benzyl-2-methylpropan-1-amine--hydrogen chloride (1/1)
- IUPAC
- N-benzyl-2-methylpropan-1-amine;hydrochloride
- English name
- N-Benzyl-2-methylpropan-1-amine hydrochloride
- Molecular formula
- C11H18ClN
- Molecular weight
- 199.72032
Names & synonyms
23530-81-6DTXSID80946290N-Benzyl-2-methylpropan-1-amine--hydrogen chloride (1/1)RefChem:1091581DTXCID401374579N-benzyl-2-methylpropan-1-amine hydrochlorideBenzylisobutylamine hydrochlorideMFCD01657378Benzylamine, N-isobutyl-, hydrochlorideBENZYL(2-METHYLPROPYL)AMINE HYDROCHLORIDEN-(2-Methylpropyl)benzenemethanamine hydrochlorideBenzenemethanamine, N-(2-methylpropyl)-, hydrochloride
Show more names
SCHEMBL21879620BS-39434N-benzyl-2-methylpropan-1-aminehydrochlorideN-benzyl-2-methylpropan-1-amine;hydrochlorideN-benzyl-2-methyl-propan-1-amine;hydrochlorideF359313N-Benzyl-2-methylpropan-1-amine hydrochloride, AldrichCPR
Database identifiers
- CAS
23530-81-6- PubChem CID
- 211728
- DTXSID
DTXSID80946290
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 175 · 175-176 °C
- form
- solid
- InChI
- 1S/C11H17N.ClH/c1-10(2)8-12-9-11-6-4-3-5-7-11;/h3-7,10,12H,8-9H2,1-2H3;1H
- InChIKey
- YSAPRFYNBAHLNL-UHFFFAOYSA-N
- SMILES
- Cl.CC(C)CNCc1ccccc1
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Toxicity
- mouse,LD50,intravenous,50mg/kg (50mg/kg),Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3501, 1972.
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…