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Molecular Structure of Indospicine monohydrochloride monohydrate (CAS NO. 16377-01-8):
IUPAC Name: (2S)-2,7-Diamino-7-iminoheptanoic acid hydrochloride
Molecular Formula: C7H16ClN3O2
Molecular Weight: 209.673840 g/mol
H-Bond Donor: 5
H-Bond Acceptor: 5
Canonical SMILES: C(CCC(=N)N)CC(C(=O)O)N.Cl
Isomeric SMILES: C(CCC(=N)N)C[C@@H](C(=O)O)N.Cl
InChI: InChI=1S/C7H15N3O2.ClH/c8-5(7(11)12)3-1-2-4-6(9)10;/h5H,1-4,8H2,(H3,9,10)(H,11,12);1H/t5-;/m0./s1
InChIKey: QDHZACJZLQSYAP-JEDNCBNOSA-N
Flash Point: 165.5 °C
Enthalpy of Vaporization: 65.33 kJ/mol
Boiling Point: 350.1 °C at 760 mmHg
Vapour Pressure of Indospicine monohydrochloride monohydrate (CAS NO. 16377-01-8): 7.77E-06 mmHg at 25 °C
1. | orl-rat TDLo:2 g/kg (female 13D post):REP | BJEPA5 British Journal of Experimental Pathology. 51 (1970),34. |
Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
Indospicine monohydrochloride monohydrate with cas registry number of 16377-01-8 is also known as Indospicine hydrochloride ; L-alpha-Amido-epsilon-amidino hexanoic acid monohydrochloride monohydrate ; Heptanoic acid, 2,7-diamino-7-imino-, monohydrochloride, (S)- (9CI) ; Norleucine, 6-amidino-, monohydrochloride, L- (8CI) ; Norleucine, 6-amidino-, monohydrochloride, hydrate .