Nor-HN2
Basic information
- CAS
821-48-7- Standard SMILES
ClCC[NH2+]CCCl.[Cl-]- InChIKey
YMDZDFSUDFLGMX-UHFFFAOYSA-N- Molecular formula
- C4H10Cl3N
- Average molar mass
- 178.48 g/mol
- Monoisotopic mass
- 176.987882
Overview
See also: Bis(2-chloroethyl)amine hydrochloride (preferred).
Names & identifiers
- Preferred name
- Nor-HN2
- IUPAC
- bis(2-chloroethyl)azanium chloride
- English name
- Bis(2-chloroethyl)amine hydrochloride
- Molecular formula
- C4H10Cl3N
- Molecular weight
- 178.49
Names & synonyms
bis(2-chloroethyl)azanium;chlorideNor-HN2LEO 72aNC 26SK 555TL 161DIETHYLAMINE, 2,2'-DICHLORO-, HYDROCHLORIDEBIS(2-CHLOROETHYL)-D8-AMINE HCL102092-04-6beta,beta'-Dichlorodiethylamine hydrochlorideAKOS025117316CyclophosphaMide Related CoMpound A
Show more names
AdomiparinBIS (2-CHLOROETHYL) AMINE HCLBIS(2-CHLOROETHYL)AMMONIUM CHLORIDEis(2-chloroethyl)aMine hydrochloride2-Chloro-N-(2-chloroethyl)ethylamine hydrochloridenc26sk555tl161leo72a
Database identifiers
- CAS
821-48-7- PubChem CID
- 13186
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 28.9
Physicochemical properties
- Melting point
- 212 · 212-214 °C(lit.)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 100 g/l · >100g/l
- form
- Crystalline Powder
- color
- White to beige
- Water Solubility
- SOLUBLE
- Sensitive
- Hygroscopic
- BRN
- 3550356 · 3550356
- InChI
- InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
- InChIKey
- YMDZDFSUDFLGMX-UHFFFAOYSA-N
- SMILES
- N(CCCl)CCCl.Cl
- CAS DataBase Reference
- 821 · 821-48-7(CAS DataBase Reference)
- FDA UNII
- 407360 DG · LY407360DG
- NIST Chemistry Reference
- 2 · 2,2'-Dichlorodiethylamine hydrochloride(821-48-7)
- EPA Substance Registry System
- 2 · Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (821-48-7)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- IA1225000
- ridadr
- 2811
- hs_code
- 29211980
- Toxicity
- LD50 orally in Rabbit: 1150 mg/kg
- risk_code
- 36/37/38-36-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,T,C
- hazard_note
- Irritant/Toxic
- safety_code
- 26-45-36/37/39-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H290-H302-H314
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Met. Corr. 1Skin Corr. 1B
- Precautionary statements
- P234-P260-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
UsesA cytotoxic metabolite of Cyclophosphamide; a deuterated analog of Nor-nitrogen mustard.
UsesBis(2-chloroethyl)amine hydrochloride is used as an intermediate in chemicals synthesis and building block for piperazine derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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