CAS 7202-43-9 (R)-(-)-Tetrahydrofurfurylamine (HCID 2734124)

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Basic information

CAS: 7202-43-9
Standard SMILES: NC[C@H]1CCCO1
InChIKey: YNOGYQAEJGADFJ-RXMQYKEDSA-N
Molecular formula: C5H11NO
Average molar mass: 101.15 g/mol
Monoisotopic mass: 101.08406397

Names & identifiers

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

Names & synonyms

(R)-(-)-Tetrahydrofurfurylamine7202-43-9DTXSID00370134RefChem:70216DTXCID90321170615-707-5(R)-(tetrahydrofuran-2-yl)methanamine(R)-tetrahydrofurfurylamine(R)-2-TetrahydrofurfurylamineMFCD00192476[(2R)-oxolan-2-yl]methanamine1-[(2R)-OXOLAN-2-YL]METHANAMINE

Show more names

RARECHEM AL BW 2434-(-)-TCTRAHYDROFURFURYLAMINC(R)-(-)-Tetrahydrofurfurylamin(R) 2-Tetrahydrofuran-2-methylamine

(R)-Tetrahydrofuran-2-yl-methylamine(R)-(-)-2-(Aminomethyl)tetrahydrofuranT2551(R)-2-(Aminomethyl)tetrahydrofuran(2R)-Tetrahydro-2-furanmethanamine Hydrochloride2-Furanmethanamine, tetrahydro-, (2R)-(2R)-tetrahydro-2-furanmethanamineXHG

Database identifiers

CAS: 7202-43-9
PubChem CID: 2734124
DTXSID: DTXSID00370134
EC Number: 615-707-5
Nikkaji: J1.704.675F

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

alpha: -13.5 · -13.5 º (c-4, MeOH)
Boiling point: 55 °C18 · 55 °C18 mm Hg(lit.)
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
pka: 9.47 · 9.47±0.29(Predicted)
form: Liquid
Specific Gravity: 0.98 · 0.980
color: Clear colorless
optical activity: 20 · [α]20/D 12°, c = 2 in chloroform
Water Solubility: miscible
Sensitive: Hygroscopic
BRN: 4652873 · 4652873
InChI: 1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2/t5-/m1/s1
InChIKey: YNOGYQAEJGADFJ-RXMQYKEDSA-N

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 44 reports by companies from 4 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 3/PG 3
hs_code: 29321900
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 · 1 item

Uses(R)-(-)-Tetrahydrofurfurylamine is used in the synthesis of novel topoisomerase I targeting anti-cancer agents with mild to potent cytotoxic activity. Also used in the discovery and synthesis of orally bioavailable stearoyl-CoA desaturase 1 inhibitors.