CAS 132883-44-4 (3S)-(-)-3-(Dimethylamino)pyrrolidine (HCID 7019156)

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Basic information

CAS: 132883-44-4
Standard SMILES: CN(C)[C@H]1CCNC1
InChIKey: AVAWMINJNRAQFS-LURJTMIESA-N
Molecular formula: C6H14N2
Average molar mass: 114.19 g/mol
Monoisotopic mass: 114.11569846

Names & identifiers

Preferred name: (3S)-(-)-3-(Dimethylamino)pyrrolidine
IUPAC: (3S)-N,N-dimethylpyrrolidin-3-amine
English name: (3S)-(-)-3-(DIMETHYLAMINO)PYRROLIDINE
Molecular formula: C6H14N2
Molecular weight: 114.19

Names & synonyms

132883-44-4(3S)-(-)-3-(Dimethylamino)pyrrolidineDTXSID90427080RefChem:208206DTXCID30377914624-760-3(3S)-N,N-dimethylpyrrolidin-3-amine(S)-3-(Dimethylamino)pyrrolidine(S)-(-)-3-(Dimethylamino)pyrrolidine(S)-N,N-dimethylpyrrolidin-3-amine(S)-3-DimethylaminopyrrolidineMFCD00191348

Show more names

(3S)-N**DISCONTINUED** Alt H30661(3S)-3-DIMETHYLAMINOPYRROLIDINE(S)-3-(DIMETHYLAMINO) PYRROLIDINES- N,N-diMethyl-3-PyrrolidinaMineDIMETHYL-PYRROLIDIN-3-YL-AMINE (S)(S)-DIMETHYL-PYRROLIDIN-3-YL-AMINE

3-PYRROLIDINAMINE, N,N-DIMETHYL-, (3S)-(3S)-N,N-Dimethyl-3-pyrrolidinamine(3S)-3-(dimethylamino)pyrrolidine(3S)-(-)-3-dimethylamino-pyrrolidineAS-38800(S)-N,N-DIMETHYL-3-PYRROLIDINAMINE(S)-(-)-3-(Dimethylamino)pyrrolidine, 97%EN300-195508

Database identifiers

CAS: 132883-44-4
PubChem CID: 7019156
DTXSID: DTXSID90427080
UNII: 7DNP4SR5XL
EC Number: 624-760-3
Nikkaji: J382.979K

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 70

Physicochemical properties

Boiling point: 160 °C/760 · 160 °C/760 mmHg (lit.)
Density: 0.899 g/mL · 0.899 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4650(lit.)
Flash point: 125 °F · 125 °F
storage temp.: 2 · 2-8°C
pka: 9.93 · 9.93±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 0.9 · 0.90
optical activity: 14 · [α]/D 14±2°, c = 1 in ethanol
InChI: InChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKey: AVAWMINJNRAQFS-LURJTMIESA-N
SMILES: N1CC[C@H](N(C)C)C1
CAS DataBase Reference: 132883 · 132883-44-4(CAS DataBase Reference)
UNSPSC Code: 12352005 · 12352005
NACRES

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)；Acute Tox. 4 (95.2%)；Skin Irrit. 2 (95.2%)；Eye Dam. 1 (97.6%)；STOT SE 3 (95.2%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN 1993 3/PG 3
hs_code: 2933998090
risk_code: 10-22-37/38-41-38-37
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: Xn

Chemistry & industry

Applications

Uses(S)-()-3-(Dimethylamino)pyrrolidine can be used as a reactant in the syntheses of oxadiazolylthiazole and xanthone derivatives of biological importance.