CAS 7175-81-7 (S)-(+)-Tetrahydrofurfurylamine (HCID 641530)

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Basic information

CAS: 7175-81-7
Standard SMILES: NC[C@@H]1CCCO1
InChIKey: YNOGYQAEJGADFJ-YFKPBYRVSA-N
Molecular formula: C5H11NO
Average molar mass: 101.15 g/mol
Monoisotopic mass: 101.08406397

Names & identifiers

Preferred name: (S)-(+)-Tetrahydrofurfurylamine
IUPAC: [(2S)-oxolan-2-yl]methanamine
English name: (S)-(+)-Tetrahydrofurfurylamine
Molecular formula: C5H11NO
Molecular weight: 101.15

Names & synonyms

7175-81-7(S)-(+)-TetrahydrofurfurylamineDTXSID70348926RefChem:210987DTXCID60299998627-367-5(S)-(tetrahydrofuran-2-yl)methanamine(S)-Tetrahydrofurfurylamine[(2S)-oxolan-2-yl]methanamineMFCD00085303(S)-tetrahydrofuran-2-yl-methylamine(2S)-tetrahydrofurfurylamine

Show more names

RARECHEM AL BW 2432(+)-TETRAHYDROFURFURYLAMINE(S)-2-TETRAHYDROFURFURYLAMINE(S)-2-(AMINOMETHYL)TETRAHYDROFURAN(S)-(+)-TetrahydrofurfurylaMine 97%S-(Tetrahydrofuran-2-yl)methanamine

SCHEMBL226122(S)-2-aminomethyltetrahydrofuran(2S)-oxolan-2-ylmethanamine(S)-(+)-2-(Aminomethyl)tetrahydrofuran1-((2S)-tetrahydrofuran-2-yl)methanamineT25522-Furanmethanamine, tetrahydro-, (2S)-S-(tetra

Database identifiers

CAS: 7175-81-7
PubChem CID: 641530
DTXSID: DTXSID70348926
EC Number: 627-367-5

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Physicochemical properties

Boiling point: 55 °C/18 · 55 °C/18 mmHg (lit.)
alpha: 13.5 · 13.5 º (c=4, MeOH)
Density: 0.98 g/mL · 0.98 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.455(lit.)
Flash point: 114 °F · 114 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Methanol: soluble
pka: 9.47 · 9.47±0.29(Predicted)
form: clear liquid
color: Colorless to Almost colorless
optical activity: 20 · [α]20/D +12°, c = 2 in chloroform
Sensitive: Hygroscopic
BRN: 5725996 · 5725996
InChI: InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2/t5-/m0/s1
InChIKey: YNOGYQAEJGADFJ-YFKPBYRVSA-N
SMILES: O1CCC[C@H]1CN

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

F: 10-34
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2943 (TETRAHYDROFURFURYL- AMINE)
hs_code: 2932.19.5100
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F
safety_code: 16-26-36/37/39-37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)

Chemistry & industry

Applications

DescriptionTetrahydrofurfurylamine appears as a colorless to light yellow liquid. Insoluble in water and less dense than water. Used to make other chemicals and as a photographic chemical.

Uses(S)-Tetrahydrofurfurylamine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.