Basic information
- Standard SMILES
NCCN1CCCC1- InChIKey
WRXNJTBODVGDRY-UHFFFAOYSA-N- Molecular formula
- C6H14N2
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.11569846
Names & identifiers
- Preferred name
- 1-Pyrrolidineethanamine
- IUPAC
- 2-pyrrolidin-1-ylethanamine
- English name
- 1-(2-Aminoethyl)pyrrolidine
- Molecular formula
- C6H14N2
- Molecular weight
- 114.19
Names & synonyms
1-(2-Aminoethyl)pyrrolidine1-PyrrolidineethanamineN-(2-Aminoethyl)pyrrolidine2-pyrrolidin-1-ylethanamine2-(Pyrrolidin-1-Yl)Ethan-1-Amine2-(1-Pyrrolidinyl)ethanamine076KT5HU06EINECS 230-509-5NSC-73740UNII-076KT5HU06DTXSID10645802-(PYRROLIDINO)ETHANAMINE
Show more names
MFCD11053712RARECHEM AL BW 0375TIMTEC-BB SBB004304Pyrrolidinoethanamine2-Pyrrolidinoethylamine2-PyrrolizinoethanaminePyrrolidine-1-ethanamine
N-(2'-AMINOETHYL)PYRROLIDINEN-(2-(PYRROLIDIN-1-YL)ETHYL)AMINERefChem:77212DTXCID3047051InChI=1/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7HWRXNJTBODVGDRY-UHFFFAOYSA-N7154-73-6Pyrrolidinoethylamine
Database identifiers
- CAS
7154-73-6- PubChem CID
- 1344
- DTXSID
DTXSID1064580- UNII
- 076KT5HU06
- EC Number
- 230-509-5
- Nikkaji
- J149.725A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 57
Physicochemical properties
- Melting point
- 219 °C · 219 °C (decomp)
- Boiling point
- 66 · 66-70 °C/23 mmHg (lit.)
- Density
- 0.901 g/mL · 0.901 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.468(lit.)
- Flash point
- 118 °F · 118 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1 · pK1: 6.56(+2);pK2: 9.74(+1)(30°C)
- form
- Liquid
- Specific Gravity
- 0.901 · 0.901
- color
- Clear colorless to light brown
- Sensitive
- Air Sensitive
- BRN
- 102978 · 102978
- InChI
- 1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2
- InChIKey
- WRXNJTBODVGDRY-UHFFFAOYSA-N
- SMILES
- NCCN1CCCC1
- CAS DataBase Reference
- 7154 · 7154-73-6(CAS DataBase Reference)
- FDA UNII
- 76 KT5HU06 · 076KT5HU06
- NIST Chemistry Reference
- 1 · 1-Pyrrolidineethanamine(7154-73-6)
- EPA Substance Registry System
- 1 · 1-Pyrrolidineethanamine (7154-73-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 10 · 10-34
- Safety Statements
- 16 · 16-26-27-36/37/39-45
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 3 · 3
- F
- 9 · 9-23
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 Skin · Flam. Liq. 3Skin Corr. 1B
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- F
- 9-23
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29339900
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 16-26-27-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
Uses1-(2-Aminoethyl)pyrrolidine may be used in the preparation of one-dimensional coordination polymer of nickel(II), [(μN,S-NCS)2{Ni(ampy)}]n (ampy=1-(2-aminoethyl)pyrrolidine).
General Description1-(2-Aminoethyl)pyrrolidine is a heterocyclic building block. Nickel(II) salts of 1-(2-aminoethyl)pyrrolidine have been synthesized and thermal studies have been reported. The isomeric complexes trans-[NiL2(NCS)2] (violet) and cis-[NiL2(NCS)2] (blue) [L=1-(2-aminoethyl)pyrrolidine] have been synthesized and their X-ray crystal structure have been studied.
Upstream & downstream products
Upstream raw materials
Downstream products
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