Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Food Additives  /  Organic Intermediate  /  Pharmaceutical  /  Organic Intermediates
Carbamic acid,(3-aminopentyl)-, 1,1-dimethylethyl ester (9CI) structure
Carbamic acid,(3-aminopentyl)-, 1,1-dimethylethyl ester (9CI) structure

Carbamic acid,(3-aminopentyl)-, 1,1-dimethylethyl ester (9CI)

Iupac Name:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea
CAS No.:42471-28-3
Molecular Weight:272.693
1. Names and Identifiers
1.1 Name
Carbamic acid,(3-aminopentyl)-, 1,1-dimethylethyl ester (9CI)
1.2 Synonyms

1-N-Boc-3-pentane-1,3-diamine 1-N-Boc-pentane-1,3-diamine 1-N-Boc-Pentane-1,3-diaMine hydrochloride 1-N-Boc-pentane-1,3-diamine-HCl Carbamic acid, (3-aminopentyl)-, 1,1-dimethylethyl ester (9CI) Carbamic acid, N-(3-aminopentyl)-, 1,1-dimethylethyl ester tert-butyl (3-aminopentyl)carbamate tert-butyl N-(3-aminopentyl)carbamate

1.3 CAS No.
42471-28-3
1.4 CID
39214
1.5 Molecular Formula
C10H18O (isomer)
1.6 Inchi
InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)
1.7 InChkey
VFEDRRNHLBGPNN-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O
1.9 Isomers Smiles
CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O
2. 3D Conformer
3. Properties
3.1 Melting Point
125°C (rough estimate)
3.2 Boiling Point
427.446°C at 760 mmHg
3.3 Refractive Index
1.5790 (estimate)
4. Safety and Handling
4.1 Risk Statements
R25
4.2 Safety Statements
36/37/39-45
4.3 Transport
UN 2811 6.1/PG 3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Computational chemical data
  • Molecular Weight:272.693g/mol
  • Molecular Formula:C10H18O
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.4
  • Exact Mass:272.079
  • Monoisotopic Mass:272.079
  • Complexity:292
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:114A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzsAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgIcAAAADAPBG0QvsJbIEACp AhJndACAgCkRAKAXUKA4RBCACIBASUBEBAgYBgLAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
8. Recommended Suppliers
Global48SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Nimustine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Nimustine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2020/01/07
Inquire
  • Products:API,intermediate, Agrochemical,Amino Acids
  • Tel:86-27-59009407
Nimustine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2018/09/11
Inquire
  • Products:Chlorodimethylsilane;1,1,3,3-tetramethyldisiloxane
  • Tel:0086-531-58773055
Urea,N'-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(2-chloroethyl)-N-nitroso-
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
Inquire
  • Products:API Intermediate Plant extracts Pigments and dyes Food and feed additives Reagent Customization synthesisOther products
  • Tel:86-571-86960370
Urea,N'-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(2-chloroethyl)-N-nitroso-
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/06/12
Inquire