Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 1   > 1-Pyrrolidinecarboxylicacid, 3-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-
56-85-9 structure

1-Pyrrolidinecarboxylicacid, 3-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-

CAS No.:56-85-9
Molecular Weight:146.1445
Molecular Formula:C7H6N2O2 (isomer)
Names and Identifiers
Synonyms

(3s)-3-amino-1-pyrrolidinecarboxylic acid tert-butyl ester hydrochloride (s)-1--1-boc-3-amino-pyrrolidine hcl (s)-1-boc-3-amino-pyrrolidine hcl (s)-1-boc-3-amino-pyrrolidine hydrochloride (S)-1-tert-Butoxycarbonyl-3-aminopyrrolidine hydrochloride (s)-3-amino-1-n-boc-pyrrolidine hydrochloride (s)-3-amino-1-n-boc-pyrrolidine-hcl (s)-tert-butyl 3-aminopyrrolidine-1-carboxylate hydrochloride (s)-tert-butyl3-aminopyrrolidine-1-carboxylatehydrochloride 081b445 1-Pyrrolidinecarboxylicacid, 3-amino-, 1,1-dimethylethyl ester, monohydrochloride, (3S)- (9CI) 3838AC A66010 A842130 AB0085529 AK-92994 AKOS015922894 AX8048465 CTK7D1169 DTXSID60662461 HE225442 KB-144303 mfcd08061979 PUBCHEM11204 S-0044 SCHEMBL14746009 tert-butyl (3s)-3-aminopyrrolidine-1-carboxylate hydrochloride tert-butyl (3s)-3-aminopyrrolidine-1-carboxylate hydrochloride, aldrichcpr tert-butyl (3s)-3-aminopyrrolidine-1-carboxylate--hydrogen chloride (1/1) tert-butyl (3s)-3-azanylpyrrolidine-1-carboxylate hydrochloride

Inchi
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Canonical Smiles
C(CC(=O)N)C(C(=O)O)N
Isomers Smiles
C(CC(=O)N)[C@@H](C(=O)O)N
Properties
Melting Point
185℃
Refractive Index
6.8 ° (C=4, H2O)
Alpha
32.25 °(C=10, 2 N HCL)
HS Code
29241900
Safety and Handling
Risk Statements
R36
Safety Statements
S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Kyowa Hakko Europe GmbH 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:146.1445g/mol
  • Molecular Formula:C7H6N2O2
  • XLogP3-AA:_3.1
  • Exact Mass:146.069142
  • Monoisotopic Mass:146.069142
  • Complexity:146
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:106
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
Recommended Suppliers
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:+86-0311-54450152
  • Fax:+86-0311-42322233
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
Recommended Suppliers
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:+86-0311-54450152
  • Fax:+86-0311-42322233
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
 
<