CAS 7307-55-3 Undecylamine (HCID 81742)

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Basic information

CAS: 7307-55-3
Standard SMILES: CCCCCCCCCCCN
InChIKey: QFKMMXYLAPZKIB-UHFFFAOYSA-N
Molecular formula: C11H25N
Average molar mass: 171.32 g/mol
Monoisotopic mass: 171.1986998

Names & identifiers

Preferred name: Undecylamine
IUPAC: undecan-1-amine
English name: n-Undecylamine
Molecular formula: C11H25N
Molecular weight: 171.32

Names & synonyms

n-UndecylamineUndecylamine7307-55-3MonoundecylamineUNII-UZE26A4KO1EINECS 230-761-6UZE26A4KO1BRN 1736378DTXSID3022249AI3-16567NSC-33984-04-00-00792 (Beilstein Handbook Reference)

Show more names

UndecylaminHendecylamineAminoundecane1-Undecylamine

NSC 3398RefChem:193116DTXCID402249230-761-6QFKMMXYLAPZKIB-UHFFFAOYSA-N1-Aminoundecane1-Undecanamineundecan-1-amine

Database identifiers

CAS: 7307-55-3
PubChem CID: 81742
DTXSID: DTXSID3022249
UNII: UZE26A4KO1
EC Number: 230-761-6
Nikkaji: J97.643A

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 9
Heavy atoms: 12
Formal charge: 0
Complexity: 71.4

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 15 · 15-17 °C(lit.)
Boiling point: 106 · 106-107 °C8 mm Hg(lit.)
Density: 0.796 g/mL · 0.796 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.439(lit.)
Flash point: 198 °F · 198 °F
pka: 10.63 · 10.63(at 25℃)
form: clear liquid
color: Colorless to Almost colorless
BRN: 1736378 · 1736378
InChI: 1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3
InChIKey: QFKMMXYLAPZKIB-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCN
CAS DataBase Reference: 7307 · 7307-55-3(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
rtecs: YQ1518000
ridadr: UN 2735PSN1 8 / PGII
hs_code: 29211999
risk_code: 36/37/38-50/53-34-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: Xi,N,C
safety_code: 26-36-61-60-45-36/37/39
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H302-H314-H410
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Chemistry & industry

Applications

UsesUndecylamine (N-Undecylamine) is a biochemical reagent that can be used as a biological material or organic compound for life science related research.