CAS 116183-81-4 (3R)-(-)-3-Aminopyrrolidine Dihydrochloride (HCID 13500643)

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Basic information

CAS: 116183-81-4
Standard SMILES: Cl.Cl.N[C@@H]1CCNC1
InChIKey: NJPNCMOUEXEGBL-RZFWHQLPSA-N
Molecular formula: C4H12Cl2N2
Average molar mass: 159.05 g/mol
Monoisotopic mass: 158.03775374

Names & identifiers

Preferred name: (3R)-(-)-3-Aminopyrrolidine Dihydrochloride
IUPAC: (3R)-pyrrolidin-3-amine;dihydrochloride
English name: (3R)-(-)-3-Aminopyrrolidine dihydrochloride
Molecular formula: C4H12Cl2N2
Molecular weight: 159.06

Names & synonyms

(3R)-(-)-3-Aminopyrrolidine Dihydrochloride3-Pyrrolidinamine, hydrochloride (1:2), (3R)-RefChem:400727634-214-6116183-81-4(R)-pyrrolidin-3-amine dihydrochloride(R)-3-Aminopyrrolidine 2HCl(R)-(-)-3-Aminopyrrolidine dihydrochloride(3R)-pyrrolidin-3-amine;dihydrochloride(R)-3-Aminopyrrolidine dihydrochlorideMFCD00070604(R)-(+)-3-Aminopyrrolidine 2HCl

Show more names

(3R)-3-Pyrrolidinamine 2HCl(3R)-(-)-3-Aminopyrrolidine2HCl3-Aminopyrrolidine dihvdrochlon(R)-(-)-3-AMINOPYRROLIDINE 2HCL[(3R)-pyrrolidin-1-ium-3-yl]azanium(R)-3-Aminopyrrolidine hydrochloride(R)-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE

(R)-3-Amino-pyrrolidine dihydrochlorideSCHEMBL1266793(R)-Pyrrolidin-3-amine DiHClDTXSID60542330AKOS015845493(3R)-pyrrolidin-3-amine dihydrochloride3-Pyrrolidinamine, dihydrochloride, (R)-(3R)-3-pyrrolidinamine dihydrochloride

Database identifiers

Properties

Computed structural properties

Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 44.8

Physicochemical properties

Melting point: 283 °C · 283°C (dec.)
refractive index: -1.1 ° · -1.1 ° (C=10, H2O)
storage temp.: Inert atmosphere,Room Temperature
form: Powder
color: White to off-white
optical activity: 20 · [α]20/D 1.8°, c = 1 in H2O
Water Solubility: very faint turbidity
Sensitive: Hygroscopic
BRN: 5852700 · 5852700
InChI: InChI=1/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H/t4-;;/s3
InChIKey: NJPNCMOUEXEGBL-RZFWHQLPSA-N
SMILES: [C@H]1(N)CNCC1.Cl.Cl |&1:0,r|
CAS DataBase Reference: 116183 · 116183-81-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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 CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C,Xi
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a-P261-P305+P351+P338

Chemistry & industry

Applications

Uses(R)-3-Aminopyrrolidine dihydrochloride is a key intermediate in the synthesis of chiral drugs or pesticides, and it can be used in the synthesis of vinylpyrrolidone-Cephaloridine drugs.

Upstream & downstream products

Upstream raw materials

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]

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]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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Compound notes

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