Basic information
- CAS
2403-22-7- Standard SMILES
CCCCNCc1ccccc1- InChIKey
HIPXPABRMMYVQD-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- N-Butylbenzylamine
- IUPAC
- N-benzylbutan-1-amine
- English name
- N-BENZYL-N-BUTYLAMINE
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
N-ButylbenzylamineN-Benzyl-n-butylamineBenzenemethanamine, N-butyl-N-(n-Butyl)benzylamineEINECS 219-287-0AI3-20803DTXSID1062384RefChem:163055DTXCID8036992219-287-0HIPXPABRMMYVQD-UHFFFAOYSA-N2403-22-7
Show more names
TIMTEC-BB SBB0065521-BenzylaminobutaneN-N-BUTYLBENZYLAMINE
N-benzylbutan-1-amineN-BenzylbutylamineButylbenzylamineBenzylbutylamineBenzyl(Butyl)AmineBenzylamine, N-butyl-N-Benzyl-1-butanamineMFCD00009427
Database identifiers
- CAS
2403-22-7- PubChem CID
- 75467
- DTXSID
DTXSID1062384- ChEMBL
CHEMBL1178140- EC Number
- 219-287-0
- Nikkaji
- J216.044G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 95.2
Experimental & physicochemical properties
LogP2.59
Physicochemical properties
- Melting point
- 54 · 54-56 °C
- Boiling point
- 87 · 87-89 °C3 mm Hg(lit.)
- Density
- 0.911 g/mL · 0.911 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.501(lit.)
- Flash point
- 202 °F · 202 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- clear liquid
- pka
- 9.85 · 9.85±0.19(Predicted)
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 0.911 · 0.911
- BRN
- 2081422 · 2081422
- CAS DataBase Reference
- 2403 · 2403-22-7(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (13.3%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN2735
- hs_code
- 29214990
- risk_code
- 36/37/38-34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-37/39-45-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, N-butyl-: ACTIVE
Applications
UsesN-Benzyl-1-butanamine is a chemical reagent used as a reagent in the synthesis of antimicrobial biosurfactants and bacterial urease inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers70 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
18 records
Compound notes
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